2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

C14H24N2O3S2 — CID 81064513

IUPAC2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O3S2/c1-11(2)19-8-7-16(3)21(17,18)14-6-9-20-13(14)10-15-12-4-5-12/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyJLBYIBBXLBEEDU-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.05
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (PubChem CID 81064513) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
PubChem CID81064513
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O3S2/c1-11(2)19-8-7-16(3)21(17,18)14-6-9-20-13(14)10-15-12-4-5-12/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyJLBYIBBXLBEEDU-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (CID 81064513) is 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is CC(C)OCCN(C)S(=O)(=O)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The InChIKey is JLBYIBBXLBEEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11(2)19-8-7-16(3)21(17,18)14-6-9-20-13(14)10-15-12-4-5-12/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 81064513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).