4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide

C14H22N2O2S3 — CID 106073795

IUPAC4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(CNC3CC3)cs2)CCCS1
InChIInChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-11(9-19-13)8-15-12-3-4-12/h7,9,12,15-16H,2-6,8,10H2,1H3
InChIKeyQXJRSXOSTYFXCC-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.56
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106073795) has the molecular formula C14H22N2O2S3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106073795
Molecular FormulaC14H22N2O2S3
Molecular Weight346.54 g/mol
Exact Mass346.08
IUPAC Name4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(CNC3CC3)cs2)CCCS1
InChIInChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-11(9-19-13)8-15-12-3-4-12/h7,9,12,15-16H,2-6,8,10H2,1H3
InChIKeyQXJRSXOSTYFXCC-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073745
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83145859
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073676
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide (CID 106073795) is 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide is CC1(CNS(=O)(=O)c2cc(CNC3CC3)cs2)CCCS1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QXJRSXOSTYFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-11(9-19-13)8-15-12-3-4-12/h7,9,12,15-16H,2-6,8,10H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 346.54 g/mol, XLogP of 2.56, 7 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-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106073795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).