N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide

C15H20N2O2S2 — CID 97231696

IUPACN-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CN[C@@H](C)c1ccc(C)s1
InChIInChI=1S/C15H20N2O2S2/c1-11-8-9-14(20-11)12(2)17-10-13-6-4-5-7-15(13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1
InChIKeyTUSVTLRNLGCROH-LBPRGKRZSA-N
MW324.47 g/mol
LogP2.82
Rot. Bonds6

About N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide

N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide (PubChem CID 97231696) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
PubChem CID97231696
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CN[C@@H](C)c1ccc(C)s1
InChIInChI=1S/C15H20N2O2S2/c1-11-8-9-14(20-11)12(2)17-10-13-6-4-5-7-15(13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1
InChIKeyTUSVTLRNLGCROH-LBPRGKRZSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 61473078
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54953144
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide (CID 97231696) is N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1CN[C@@H](C)c1ccc(C)s1.
What is the InChIKey of N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide?
The InChIKey is TUSVTLRNLGCROH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11-8-9-14(20-11)12(2)17-10-13-6-4-5-7-15(13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide?
N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 97231696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).