[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

C19H30ClN3O4S — CID 120783633

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)cc1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-14(2)15-3-6-17(7-4-15)27(24,25)22-11-9-21(10-12-22)19(23)18-8-5-16(13-20)26-18;/h3-4,6-7,14,16,18H,5,8-13,20H2,1-2H3;1H/t16-,18+;/m1./s1
InChIKeyOKGUHDQQOWGPHE-CLRXKPRGSA-N
MW431.99 g/mol
LogP1.57
Rot. Bonds5

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 120783633) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
PubChem CID120783633
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)cc1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-14(2)15-3-6-17(7-4-15)27(24,25)22-11-9-21(10-12-22)19(23)18-8-5-16(13-20)26-18;/h3-4,6-7,14,16,18H,5,8-13,20H2,1-2H3;1H/t16-,18+;/m1./s1
InChIKeyOKGUHDQQOWGPHE-CLRXKPRGSA-N
XLogP1.57
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119680788
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119631416
piperidin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266631
2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119680778
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 120787190
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (CID 120783633) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)cc1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is OKGUHDQQOWGPHE-CLRXKPRGSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-14(2)15-3-6-17(7-4-15)27(24,25)22-11-9-21(10-12-22)19(23)18-8-5-16(13-20)26-18;/h3-4,6-7,14,16,18H,5,8-13,20H2,1-2H3;1H/t16-,18+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120783633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).