2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine

C14H21NS — CID 81351780

IUPAC2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
SMILESCC1SCCCC1N[C@H](C)c1ccccc1
InChIInChI=1S/C14H21NS/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12,14-15H,6,9-10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyPBZRFVCAOGGFTI-LKSINWNRSA-N
MW235.40 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine

2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine (PubChem CID 81351780) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
PubChem CID81351780
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
SMILESCC1SCCCC1N[C@H](C)c1ccccc1
InChIInChI=1S/C14H21NS/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12,14-15H,6,9-10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyPBZRFVCAOGGFTI-LKSINWNRSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylthian-3-amine
CID 81353696
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
N-[1-(3-bromophenyl)ethyl]-2-methylthian-3-amine
CID 79957820
N-[1-(4-ethylphenyl)ethyl]-2-methylthian-3-amine
CID 79957461
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
N-[1-(3,4-dichlorophenyl)ethyl]-2-methylthian-3-amine
CID 79957805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine (CID 81351780) is 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine is CC1SCCCC1N[C@H](C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine?
The InChIKey is PBZRFVCAOGGFTI-LKSINWNRSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12,14-15H,6,9-10H2,1-2H3/t11-,12?,14?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine?
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine has a molecular weight of 235.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine is sourced from PubChem (CID 81351780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).