N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide

C10H17N3O2S — CID 106995654

IUPACN-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc[nH]c2)CCN1
InChIInChI=1S/C10H17N3O2S/c1-8-6-9(2-5-12-8)13-16(14,15)10-3-4-11-7-10/h3-4,7-9,11-13H,2,5-6H2,1H3
InChIKeyXLYWJNJPCOQKMA-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.43
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide

N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106995654) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106995654
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc[nH]c2)CCN1
InChIInChI=1S/C10H17N3O2S/c1-8-6-9(2-5-12-8)13-16(14,15)10-3-4-11-7-10/h3-4,7-9,11-13H,2,5-6H2,1H3
InChIKeyXLYWJNJPCOQKMA-UHFFFAOYSA-N
XLogP0.43
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
N-(2-methylpiperidin-4-yl)furan-2-sulfonamide
CID 120875795
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
3-bromo-N-(2-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 120586161
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
4-chloro-N-(2-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 106995700
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide (CID 106995654) is N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide is CC1CC(NS(=O)(=O)c2cc[nH]c2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is XLYWJNJPCOQKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-6-9(2-5-12-8)13-16(14,15)10-3-4-11-7-10/h3-4,7-9,11-13H,2,5-6H2,1H3.
What are the key properties of N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).