N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C17H28ClN3O3S — CID 119629639

IUPACN-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-4-5-10-20(13)24(22,23)15-9-6-8-14(11-15)16(21)19-12-17(2,3)18;/h6,8-9,11,13H,4-5,7,10,12,18H2,1-3H3,(H,19,21);1H
InChIKeySOQCIISELQDUBP-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.14
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119629639) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119629639
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-4-5-10-20(13)24(22,23)15-9-6-8-14(11-15)16(21)19-12-17(2,3)18;/h6,8-9,11,13H,4-5,7,10,12,18H2,1-3H3,(H,19,21);1H
InChIKeySOQCIISELQDUBP-UHFFFAOYSA-N
XLogP2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
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N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
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CID 55968305
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
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CID 78767659

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119629639) is N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is SOQCIISELQDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-13-7-4-5-10-20(13)24(22,23)15-9-6-8-14(11-15)16(21)19-12-17(2,3)18;/h6,8-9,11,13H,4-5,7,10,12,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119629639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).