N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C13H24N2O2S2 — CID 106059096

IUPACN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccsc1CNC(C)C
InChIInChI=1S/C13H24N2O2S2/c1-10(2)5-7-15-19(16,17)13-6-8-18-12(13)9-14-11(3)4/h6,8,10-11,14-15H,5,7,9H2,1-4H3
InChIKeyHDHMOPMQJKKCJV-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.57
Rot. Bonds8

About N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106059096) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106059096
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccsc1CNC(C)C
InChIInChI=1S/C13H24N2O2S2/c1-10(2)5-7-15-19(16,17)13-6-8-18-12(13)9-14-11(3)4/h6,8,10-11,14-15H,5,7,9H2,1-4H3
InChIKeyHDHMOPMQJKKCJV-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(2-imidazol-1-ylethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106018077
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106383944
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093530
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
2-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084380
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106059096) is N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)CCNS(=O)(=O)c1ccsc1CNC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is HDHMOPMQJKKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-10(2)5-7-15-19(16,17)13-6-8-18-12(13)9-14-11(3)4/h6,8,10-11,14-15H,5,7,9H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).