(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine

C17H23NS — CID 59978709

IUPAC(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
SMILESCc1ccc(-c2ccc(CN[C@@H](C)C(C)C)s2)cc1
InChIInChI=1S/C17H23NS/c1-12(2)14(4)18-11-16-9-10-17(19-16)15-7-5-13(3)6-8-15/h5-10,12,14,18H,11H2,1-4H3/t14-/m0/s1
InChIKeyWMVPNELDNLHHID-AWEZNQCLSA-N
MW273.44 g/mol
LogP4.86
Rot. Bonds5

About (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine

(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine (PubChem CID 59978709) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
PubChem CID59978709
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
SMILESCc1ccc(-c2ccc(CN[C@@H](C)C(C)C)s2)cc1
InChIInChI=1S/C17H23NS/c1-12(2)14(4)18-11-16-9-10-17(19-16)15-7-5-13(3)6-8-15/h5-10,12,14,18H,11H2,1-4H3/t14-/m0/s1
InChIKeyWMVPNELDNLHHID-AWEZNQCLSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
CID 58808576
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine (CID 59978709) is (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine is Cc1ccc(-c2ccc(CN[C@@H](C)C(C)C)s2)cc1.
What is the InChIKey of (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine?
The InChIKey is WMVPNELDNLHHID-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NS/c1-12(2)14(4)18-11-16-9-10-17(19-16)15-7-5-13(3)6-8-15/h5-10,12,14,18H,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine?
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine has a molecular weight of 273.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 59978709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).