1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C18H28ClN5O3S — CID 120851643

IUPAC1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2cc(-c3nc(C4(N)CCCC4)no3)n(C)c2)C1.Cl
InChIInChI=1S/C18H27N5O3S.ClH/c1-13-6-5-9-23(11-13)27(24,25)14-10-15(22(2)12-14)16-20-17(21-26-16)18(19)7-3-4-8-18;/h10,12-13H,3-9,11,19H2,1-2H3;1H
InChIKeyNSTVTEPNAVLFSQ-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.65
Rot. Bonds4

About 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851643) has the molecular formula C18H28ClN5O3S and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851643
Molecular FormulaC18H28ClN5O3S
Molecular Weight429.97 g/mol
Exact Mass429.16
IUPAC Name1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2cc(-c3nc(C4(N)CCCC4)no3)n(C)c2)C1.Cl
InChIInChI=1S/C18H27N5O3S.ClH/c1-13-6-5-9-23(11-13)27(24,25)14-10-15(22(2)12-14)16-20-17(21-26-16)18(19)7-3-4-8-18;/h10,12-13H,3-9,11,19H2,1-2H3;1H
InChIKeyNSTVTEPNAVLFSQ-UHFFFAOYSA-N
XLogP2.65
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852096
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carboxamide
CID 120853778
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850233
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
1-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862177
1-[5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863287
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578456
2-methyl-6-(3-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759837
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
7-(3-methylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 20927696

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851643) is 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CC1CCCN(S(=O)(=O)c2cc(-c3nc(C4(N)CCCC4)no3)n(C)c2)C1.Cl.
What is the InChIKey of 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is NSTVTEPNAVLFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S.ClH/c1-13-6-5-9-23(11-13)27(24,25)14-10-15(22(2)12-14)16-20-17(21-26-16)18(19)7-3-4-8-18;/h10,12-13H,3-9,11,19H2,1-2H3;1H.
What are the key properties of 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 429.97 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).