1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide

C14H25N3O3S — CID 106067452

IUPAC1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CCOC)cn1C1CC1
InChIInChI=1S/C14H25N3O3S/c1-11(6-7-20-3)16-21(18,19)14-8-13(9-15-2)17(10-14)12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyCQIDQYOWCDGCOD-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.25
Rot. Bonds9

About 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide

1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106067452) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106067452
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CCOC)cn1C1CC1
InChIInChI=1S/C14H25N3O3S/c1-11(6-7-20-3)16-21(18,19)14-8-13(9-15-2)17(10-14)12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyCQIDQYOWCDGCOD-UHFFFAOYSA-N
XLogP1.25
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106055303
1-cyclopropyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106082155
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
CID 106015962
5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
CID 102701378
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236
1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 115409146

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106067452) is 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)CCOC)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is CQIDQYOWCDGCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(6-7-20-3)16-21(18,19)14-8-13(9-15-2)17(10-14)12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106067452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).