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

C13H22N2O2S2 — CID 106030004

IUPAC2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C13H22N2O2S2/c1-9(2)10(3)15-19(16,17)13-6-7-18-12(13)8-14-11-4-5-11/h6-7,9-11,14-15H,4-5,8H2,1-3H3
InChIKeyGVDMCQVGTLFNMF-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.32
Rot. Bonds7

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

2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 106030004) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID106030004
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C13H22N2O2S2/c1-9(2)10(3)15-19(16,17)13-6-7-18-12(13)8-14-11-4-5-11/h6-7,9-11,14-15H,4-5,8H2,1-3H3
InChIKeyGVDMCQVGTLFNMF-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218686
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513
2-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072832
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide (CID 106030004) is 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide is CC(C)C(C)NS(=O)(=O)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is GVDMCQVGTLFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-9(2)10(3)15-19(16,17)13-6-7-18-12(13)8-14-11-4-5-11/h6-7,9-11,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).