5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide

C14H22N2O2S3 — CID 106073745

IUPAC5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2csc(CNC3CC3)c2)CCCS1
InChIInChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-12(19-9-13)8-15-11-3-4-11/h7,9,11,15-16H,2-6,8,10H2,1H3
InChIKeyGKHWAGOQWRHOGY-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.56
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106073745) has the molecular formula C14H22N2O2S3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID106073745
Molecular FormulaC14H22N2O2S3
Molecular Weight346.54 g/mol
Exact Mass346.08
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2csc(CNC3CC3)c2)CCCS1
InChIInChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-12(19-9-13)8-15-11-3-4-11/h7,9,11,15-16H,2-6,8,10H2,1H3
InChIKeyGKHWAGOQWRHOGY-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

4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 106073795
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 114552184
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018237
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106060980

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide (CID 106073745) is 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide is CC1(CNS(=O)(=O)c2csc(CNC3CC3)c2)CCCS1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is GKHWAGOQWRHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S3/c1-14(5-2-6-20-14)10-16-21(17,18)13-7-12(19-9-13)8-15-11-3-4-11/h7,9,11,15-16H,2-6,8,10H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-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 5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106073745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).