N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C17H27N3O3S — CID 119524840

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C17H27N3O3S/c1-13-6-4-5-11-20(13)24(22,23)15-9-7-14(8-10-15)16(21)19-17(2,3)12-18/h7-10,13H,4-6,11-12,18H2,1-3H3,(H,19,21)
InChIKeyQXMCAFDCLHANMN-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.72
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 119524840) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID119524840
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C17H27N3O3S/c1-13-6-4-5-11-20(13)24(22,23)15-9-7-14(8-10-15)16(21)19-17(2,3)12-18/h7-10,13H,4-6,11-12,18H2,1-3H3,(H,19,21)
InChIKeyQXMCAFDCLHANMN-UHFFFAOYSA-N
XLogP1.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119600106
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46793806
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881608
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 119524840) is N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QXMCAFDCLHANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-6-4-5-11-20(13)24(22,23)15-9-7-14(8-10-15)16(21)19-17(2,3)12-18/h7-10,13H,4-6,11-12,18H2,1-3H3,(H,19,21).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119524840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).