N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H21N3O4S — CID 62519693

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-16-8-10(21(14,19)20)7-11(16)12(18)15-13(9-17)5-3-2-4-6-13/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyKVIGHZWZPYYCKO-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.10
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 62519693) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID62519693
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-16-8-10(21(14,19)20)7-11(16)12(18)15-13(9-17)5-3-2-4-6-13/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyKVIGHZWZPYYCKO-UHFFFAOYSA-N
XLogP0.10
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 119565471
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
CID 62527582
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 62519693) is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is KVIGHZWZPYYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-16-8-10(21(14,19)20)7-11(16)12(18)15-13(9-17)5-3-2-4-6-13/h7-8,17H,2-6,9H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 62519693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).