[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea

C15H22N4O4S — CID 43073423

IUPAC[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O4S/c1-24(22,23)17-10-13-4-2-3-9-19(13)14(20)11-5-7-12(8-6-11)18-15(16)21/h5-8,13,17H,2-4,9-10H2,1H3,(H3,16,18,21)
InChIKeyJBTXZYDICQKTLQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.72
Rot. Bonds5

About [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea

[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea (PubChem CID 43073423) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
PubChem CID43073423
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O4S/c1-24(22,23)17-10-13-4-2-3-9-19(13)14(20)11-5-7-12(8-6-11)18-15(16)21/h5-8,13,17H,2-4,9-10H2,1H3,(H3,16,18,21)
InChIKeyJBTXZYDICQKTLQ-UHFFFAOYSA-N
XLogP0.72
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-[4-(piperidin-1-ylmethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43062811
N-[[1-[4-(1,3-dithian-2-yl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073333
N-[[1-[4-(trifluoromethylsulfanyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073371
N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073485
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-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea (CID 43073423) is [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea is CS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is JBTXZYDICQKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-24(22,23)17-10-13-4-2-3-9-19(13)14(20)11-5-7-12(8-6-11)18-15(16)21/h5-8,13,17H,2-4,9-10H2,1H3,(H3,16,18,21).
What are the key properties of [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea?
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 354.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 43073423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).