3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C17H27N3O5S2 — CID 43073290

IUPAC3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O5S2/c1-13(2)19-27(24,25)16-9-6-7-14(11-16)17(21)20-10-5-4-8-15(20)12-18-26(3,22)23/h6-7,9,11,13,15,18-19H,4-5,8,10,12H2,1-3H3
InChIKeyWCRBAWUASFYMGP-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.92
Rot. Bonds7

About 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43073290) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID43073290
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Name3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O5S2/c1-13(2)19-27(24,25)16-9-6-7-14(11-16)17(21)20-10-5-4-8-15(20)12-18-26(3,22)23/h6-7,9,11,13,15,18-19H,4-5,8,10,12H2,1-3H3
InChIKeyWCRBAWUASFYMGP-UHFFFAOYSA-N
XLogP0.92
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073491
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
CID 43073423

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 43073290) is 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1.
What is the InChIKey of 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WCRBAWUASFYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-13(2)19-27(24,25)16-9-6-7-14(11-16)17(21)20-10-5-4-8-15(20)12-18-26(3,22)23/h6-7,9,11,13,15,18-19H,4-5,8,10,12H2,1-3H3.
What are the key properties of 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 417.55 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43073290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).