2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine

C12H19NS2 — CID 81398612

IUPAC2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
SMILESCC1SCCCC1N[C@@H](C)c1cccs1
InChIInChI=1S/C12H19NS2/c1-9(12-6-4-8-15-12)13-11-5-3-7-14-10(11)2/h4,6,8-11,13H,3,5,7H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyHLAKWYHYERJXJY-WHXUTIOJSA-N
MW241.42 g/mol
LogP3.68
Rot. Bonds3

About 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine

2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine (PubChem CID 81398612) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
PubChem CID81398612
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
SMILESCC1SCCCC1N[C@@H](C)c1cccs1
InChIInChI=1S/C12H19NS2/c1-9(12-6-4-8-15-12)13-11-5-3-7-14-10(11)2/h4,6,8-11,13H,3,5,7H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyHLAKWYHYERJXJY-WHXUTIOJSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
CID 102684058
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
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
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
N-[1-(4-ethylphenyl)ethyl]-2-methylthian-3-amine
CID 79957461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine (CID 81398612) is 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine is CC1SCCCC1N[C@@H](C)c1cccs1.
What is the InChIKey of 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine?
The InChIKey is HLAKWYHYERJXJY-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H19NS2/c1-9(12-6-4-8-15-12)13-11-5-3-7-14-10(11)2/h4,6,8-11,13H,3,5,7H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine?
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine is sourced from PubChem (CID 81398612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).