3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride

C15H22ClN3O4S — CID 119979260

IUPAC3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(S(=O)(=O)NCCC3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O4S.ClH/c1-18-13-5-4-12(9-14(13)22-15(18)19)23(20,21)17-8-6-11-3-2-7-16-10-11;/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3;1H
InChIKeyQNSUJTBTTQPLTR-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.22
Rot. Bonds5

About 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride

3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride (PubChem CID 119979260) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride
PubChem CID119979260
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(S(=O)(=O)NCCC3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O4S.ClH/c1-18-13-5-4-12(9-14(13)22-15(18)19)23(20,21)17-8-6-11-3-2-7-16-10-11;/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3;1H
InChIKeyQNSUJTBTTQPLTR-UHFFFAOYSA-N
XLogP1.22
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 98786403
3-methyl-6-(2-pyrrolidin-3-ylethylamino)-1,3-benzoxazol-2-one
CID 115210603
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
3-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120720114
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
CID 119977325
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119979597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride (CID 119979260) is 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride is Cl.Cn1c(=O)oc2cc(S(=O)(=O)NCCC3CCCNC3)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The InChIKey is QNSUJTBTTQPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c1-18-13-5-4-12(9-14(13)22-15(18)19)23(20,21)17-8-6-11-3-2-7-16-10-11;/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3;1H.
What are the key properties of 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride?
3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119979260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).