(1S)-1-(thian-2-yl)ethanamine

C7H15NS — CID 104932067

IUPAC(1S)-1-(thian-2-yl)ethanamine
SMILESC[C@H](N)C1CCCCS1
InChIInChI=1S/C7H15NS/c1-6(8)7-4-2-3-5-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyXHWFZEBLDFREOL-PKPIPKONSA-N
MW145.27 g/mol
LogP1.62
Rot. Bonds1

About (1S)-1-(thian-2-yl)ethanamine

(1S)-1-(thian-2-yl)ethanamine (PubChem CID 104932067) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (1S)-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(thian-2-yl)ethanamine
PubChem CID104932067
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(1S)-1-(thian-2-yl)ethanamine
SMILESC[C@H](N)C1CCCCS1
InChIInChI=1S/C7H15NS/c1-6(8)7-4-2-3-5-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyXHWFZEBLDFREOL-PKPIPKONSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(thian-2-yl)ethanamine 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

4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
1-(thiolan-2-yl)ethylhydrazine
CID 105255514
cycloheptyl(thiolan-2-yl)methanamine
CID 82932614
N,3-dimethyl-1-(thian-2-yl)butan-1-amine
CID 80627563
oxan-4-yl(thian-2-yl)methanamine
CID 80626243
3-cyclopropyl-1-(thian-2-yl)propan-1-amine
CID 80626885
2,2-difluoro-1-(thiolan-2-yl)ethanamine
CID 131583841
4-methoxy-1-(thian-2-yl)butan-1-amine
CID 114856664
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
CID 80627664
[cyclopentyl(thian-2-yl)methyl]hydrazine
CID 105255702
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(thian-2-yl)ethanamine?
The IUPAC name of (1S)-1-(thian-2-yl)ethanamine (CID 104932067) is (1S)-1-(thian-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(thian-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(thian-2-yl)ethanamine is C[C@H](N)C1CCCCS1.
What is the InChIKey of (1S)-1-(thian-2-yl)ethanamine?
The InChIKey is XHWFZEBLDFREOL-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(8)7-4-2-3-5-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1.
What are the key properties of (1S)-1-(thian-2-yl)ethanamine?
(1S)-1-(thian-2-yl)ethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 104932067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).