N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide

C16H25N3O3S — CID 31268710

IUPACN-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1CCN(C(=O)[C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-12-8-10-19(11-9-12)16(20)13(2)17-14-4-6-15(7-5-14)18-23(3,21)22/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyWESYCFWEBLOHCG-CYBMUJFWSA-N
MW339.46 g/mol
LogP2.12
Rot. Bonds5

About N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide

N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 31268710) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
PubChem CID31268710
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1CCN(C(=O)[C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-12-8-10-19(11-9-12)16(20)13(2)17-14-4-6-15(7-5-14)18-23(3,21)22/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyWESYCFWEBLOHCG-CYBMUJFWSA-N
XLogP2.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
N-[4-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268249
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide (CID 31268710) is N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide is CC1CCN(C(=O)[C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is WESYCFWEBLOHCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-8-10-19(11-9-12)16(20)13(2)17-14-4-6-15(7-5-14)18-23(3,21)22/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 31268710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).