N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

C18H32N4O3S — CID 119654643

IUPACN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)N(C)CC(C)(C)CN)n(C)c2)C1
InChIInChI=1S/C18H32N4O3S/c1-14-7-6-8-22(10-14)26(24,25)15-9-16(20(4)11-15)17(23)21(5)13-18(2,3)12-19/h9,11,14H,6-8,10,12-13,19H2,1-5H3
InChIKeyQKEKQZRHKOVATL-UHFFFAOYSA-N
MW384.55 g/mol
LogP1.50
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (PubChem CID 119654643) has the molecular formula C18H32N4O3S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
PubChem CID119654643
Molecular FormulaC18H32N4O3S
Molecular Weight384.55 g/mol
Exact Mass384.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)N(C)CC(C)(C)CN)n(C)c2)C1
InChIInChI=1S/C18H32N4O3S/c1-14-7-6-8-22(10-14)26(24,25)15-9-16(20(4)11-15)17(23)21(5)13-18(2,3)12-19/h9,11,14H,6-8,10,12-13,19H2,1-5H3
InChIKeyQKEKQZRHKOVATL-UHFFFAOYSA-N
XLogP1.50
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 120827627
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578457
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578456
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 119535688
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107214986

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (CID 119654643) is N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is CC1CCCN(S(=O)(=O)c2cc(C(=O)N(C)CC(C)(C)CN)n(C)c2)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The InChIKey is QKEKQZRHKOVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3S/c1-14-7-6-8-22(10-14)26(24,25)15-9-16(20(4)11-15)17(23)21(5)13-18(2,3)12-19/h9,11,14H,6-8,10,12-13,19H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 119654643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).