(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride

C15H27ClN4O4S — CID 119694717

IUPAC(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.Cl
InChIInChI=1S/C15H26N4O4S.ClH/c1-10-12(11(2)23-17-10)24(21,22)19-8-6-18(7-9-19)14(20)13(16)15(3,4)5;/h13H,6-9,16H2,1-5H3;1H/t13-;/m1./s1
InChIKeySJIJYPNOEPGEQZ-BTQNPOSSSA-N
MW394.93 g/mol
LogP0.92
Rot. Bonds3

About (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride

(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride (PubChem CID 119694717) has the molecular formula C15H27ClN4O4S and a molecular weight of 394.93 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
PubChem CID119694717
Molecular FormulaC15H27ClN4O4S
Molecular Weight394.93 g/mol
Exact Mass394.14
IUPAC Name(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.Cl
InChIInChI=1S/C15H26N4O4S.ClH/c1-10-12(11(2)23-17-10)24(21,22)19-8-6-18(7-9-19)14(20)13(16)15(3,4)5;/h13H,6-9,16H2,1-5H3;1H/t13-;/m1./s1
InChIKeySJIJYPNOEPGEQZ-BTQNPOSSSA-N
XLogP0.92
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 119275466
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide
CID 110811198
4-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120587450
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
(3-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
CID 119694725
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812047
ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-oxobutanoate
CID 9151213
2-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 45354210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride (CID 119694717) is (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride?
The InChIKey is SJIJYPNOEPGEQZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H26N4O4S.ClH/c1-10-12(11(2)23-17-10)24(21,22)19-8-6-18(7-9-19)14(20)13(16)15(3,4)5;/h13H,6-9,16H2,1-5H3;1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride?
(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride has a molecular weight of 394.93 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride is sourced from PubChem (CID 119694717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).