2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide

C13H22N2O2S3 — CID 102754693

IUPAC2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C13H22N2O2S3/c1-10-9-19-12(8-14-11-4-5-11)13(10)20(16,17)15(2)6-7-18-3/h9,11,14H,4-8H2,1-3H3
InChIKeyARGLFLJRUDMGJR-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.29
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide (PubChem CID 102754693) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
PubChem CID102754693
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC Name2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C13H22N2O2S3/c1-10-9-19-12(8-14-11-4-5-11)13(10)20(16,17)15(2)6-7-18-3/h9,11,14H,4-8H2,1-3H3
InChIKeyARGLFLJRUDMGJR-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide
CID 102754543
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
CID 112667294
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide (CID 102754693) is 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide is CSCCN(C)S(=O)(=O)c1c(C)csc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide?
The InChIKey is ARGLFLJRUDMGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-10-9-19-12(8-14-11-4-5-11)13(10)20(16,17)15(2)6-7-18-3/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102754693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).