4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide

C14H25N3O2S2 — CID 106035028

IUPAC4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(CNC2CC2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-3-17(4-2)8-7-16-21(18,19)14-9-12(11-20-14)10-15-13-5-6-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyUYKOJBGPXRTORW-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.62
Rot. Bonds10

About 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106035028) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106035028
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(CNC2CC2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-3-17(4-2)8-7-16-21(18,19)14-9-12(11-20-14)10-15-13-5-6-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyUYKOJBGPXRTORW-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83145859
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 106073795
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide (CID 106035028) is 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(CNC2CC2)cs1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is UYKOJBGPXRTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-3-17(4-2)8-7-16-21(18,19)14-9-12(11-20-14)10-15-13-5-6-13/h9,11,13,15-16H,3-8,10H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106035028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).