5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one

C14H20N4O3S — CID 119959710

IUPAC5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C14H20N4O3S/c1-16-12-6-5-11(8-13(12)17(2)14(16)19)22(20,21)18-7-3-4-10(15)9-18/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeySTPSTNBXUYCEAS-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.01
Rot. Bonds2

About 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one

5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one (PubChem CID 119959710) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
PubChem CID119959710
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C14H20N4O3S/c1-16-12-6-5-11(8-13(12)17(2)14(16)19)22(20,21)18-7-3-4-10(15)9-18/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeySTPSTNBXUYCEAS-UHFFFAOYSA-N
XLogP-0.01
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 7573828
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 43455224

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one (CID 119959710) is 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC(N)C3)ccc21.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one?
The InChIKey is STPSTNBXUYCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-16-12-6-5-11(8-13(12)17(2)14(16)19)22(20,21)18-7-3-4-10(15)9-18/h5-6,8,10H,3-4,7,9,15H2,1-2H3.
What are the key properties of 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one?
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one has a molecular weight of 324.41 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 119959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).