N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide

C14H22N2O2S2 — CID 102751317

IUPACN-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C14H22N2O2S2/c1-3-16(12-6-7-12)20(17,18)14-10(2)9-19-13(14)8-15-11-4-5-11/h9,11-12,15H,3-8H2,1-2H3
InChIKeyKRPOJQVEKAUUQS-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.48
Rot. Bonds7

About N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide

N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide (PubChem CID 102751317) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
PubChem CID102751317
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C14H22N2O2S2/c1-3-16(12-6-7-12)20(17,18)14-10(2)9-19-13(14)8-15-11-4-5-11/h9,11-12,15H,3-8H2,1-2H3
InChIKeyKRPOJQVEKAUUQS-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide (CID 102751317) is N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide is CCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide?
The InChIKey is KRPOJQVEKAUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-16(12-6-7-12)20(17,18)14-10(2)9-19-13(14)8-15-11-4-5-11/h9,11-12,15H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide?
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).