2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide

C18H29N3O3S — CID 119699508

IUPAC2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-4-14(3)17(19)18(22)20-15-9-11-21(12-10-15)25(23,24)16-7-5-13(2)6-8-16/h5-8,14-15,17H,4,9-12,19H2,1-3H3,(H,20,22)
InChIKeyNMUKBWOUZQMPNX-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.64
Rot. Bonds6

About 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide

2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide (PubChem CID 119699508) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
PubChem CID119699508
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-4-14(3)17(19)18(22)20-15-9-11-21(12-10-15)25(23,24)16-7-5-13(2)6-8-16/h5-8,14-15,17H,4,9-12,19H2,1-3H3,(H,20,22)
InChIKeyNMUKBWOUZQMPNX-UHFFFAOYSA-N
XLogP1.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-amino-2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699520
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
N-[(2S)-butan-2-yl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 92866818
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide (CID 119699508) is 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide is CCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide?
The InChIKey is NMUKBWOUZQMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-14(3)17(19)18(22)20-15-9-11-21(12-10-15)25(23,24)16-7-5-13(2)6-8-16/h5-8,14-15,17H,4,9-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide?
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide has a molecular weight of 367.52 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide is sourced from PubChem (CID 119699508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).