5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide

C14H25N3O3S — CID 82939796

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H25N3O3S/c1-11(2)17(6-7-20-3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyQUVWYDANSXTISB-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.31
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide (PubChem CID 82939796) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
PubChem CID82939796
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H25N3O3S/c1-11(2)17(6-7-20-3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyQUVWYDANSXTISB-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide (CID 82939796) is 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide is COCCN(C(C)C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is QUVWYDANSXTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(2)17(6-7-20-3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 82939796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).