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

C14H25N3O2S2 — CID 106035127

IUPAC5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H25N3O2S2/c1-3-17(4-2)10-9-16-21(18,19)14-8-7-13(20-14)11-15-12-5-6-12/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeySVUGQMNTTCIZFR-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.62
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106035127) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106035127
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H25N3O2S2/c1-3-17(4-2)10-9-16-21(18,19)14-8-7-13(20-14)11-15-12-5-6-12/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeySVUGQMNTTCIZFR-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-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide (CID 106035127) is 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is SVUGQMNTTCIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-3-17(4-2)10-9-16-21(18,19)14-8-7-13(20-14)11-15-12-5-6-12/h7-8,12,15-16H,3-6,9-11H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide?
5-[(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 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106035127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).