N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C19H31N3O3S — CID 119667944

IUPACN-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C19H31N3O3S/c1-3-4-10-17(14-20)21-19(23)16-9-7-11-18(13-16)26(24,25)22-12-6-5-8-15(22)2/h7,9,11,13,15,17H,3-6,8,10,12,14,20H2,1-2H3,(H,21,23)
InChIKeyGNDBIQZDCZJEBE-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.50
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 119667944) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID119667944
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C19H31N3O3S/c1-3-4-10-17(14-20)21-19(23)16-9-7-11-18(13-16)26(24,25)22-12-6-5-8-15(22)2/h7,9,11,13,15,17H,3-6,8,10,12,14,20H2,1-2H3,(H,21,23)
InChIKeyGNDBIQZDCZJEBE-UHFFFAOYSA-N
XLogP2.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-pentylthiourea
CID 11937810
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
(2S)-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]hexanoic acid
CID 120614059
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 11917267
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119486439
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
[2-oxo-2-(propylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829690

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 119667944) is N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GNDBIQZDCZJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-4-10-17(14-20)21-19(23)16-9-7-11-18(13-16)26(24,25)22-12-6-5-8-15(22)2/h7,9,11,13,15,17H,3-6,8,10,12,14,20H2,1-2H3,(H,21,23).
What are the key properties of N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119667944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).