N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide

C15H24N2O3S — CID 107402717

IUPACN-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-16(9-12-4-3-5-12)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,2-7,9,11H2,1H3
InChIKeyXVRPIRDBTKHCGW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.13
Rot. Bonds7

About N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide

N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide (PubChem CID 107402717) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
PubChem CID107402717
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-16(9-12-4-3-5-12)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,2-7,9,11H2,1H3
InChIKeyXVRPIRDBTKHCGW-UHFFFAOYSA-N
XLogP2.13
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
CID 79472119
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644503
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 107402894
1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106002484
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide (CID 107402717) is N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(CO)n(C2CC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide?
The InChIKey is XVRPIRDBTKHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-16(9-12-4-3-5-12)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,2-7,9,11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide?
N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 107402717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).