(2S)-1-(thian-3-yl)propan-2-amine

C8H17NS — CID 157129438

IUPAC(2S)-1-(thian-3-yl)propan-2-amine
SMILESC[C@H](N)CC1CCCSC1
InChIInChI=1S/C8H17NS/c1-7(9)5-8-3-2-4-10-6-8/h7-8H,2-6,9H2,1H3/t7-,8?/m0/s1
InChIKeyAIWSMSGFIQHKPO-JAMMHHFISA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds2

About (2S)-1-(thian-3-yl)propan-2-amine

(2S)-1-(thian-3-yl)propan-2-amine (PubChem CID 157129438) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (2S)-1-(thian-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(thian-3-yl)propan-2-amine
PubChem CID157129438
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(2S)-1-(thian-3-yl)propan-2-amine
SMILESC[C@H](N)CC1CCCSC1
InChIInChI=1S/C8H17NS/c1-7(9)5-8-3-2-4-10-6-8/h7-8H,2-6,9H2,1H3/t7-,8?/m0/s1
InChIKeyAIWSMSGFIQHKPO-JAMMHHFISA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
thian-3-ylmethanethiol
CID 83678909
2-fluoro-3-(thian-3-yl)propanoyl chloride
CID 105464621
3-ethylthiepane
CID 58143173
thian-3-ylmethanesulfonamide
CID 115020407
1-(oxan-3-yl)propan-2-amine
CID 63737520
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
2-methyl-2-(thian-3-yl)propan-1-amine
CID 117104704

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thian-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(thian-3-yl)propan-2-amine (CID 157129438) is (2S)-1-(thian-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(thian-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(thian-3-yl)propan-2-amine is C[C@H](N)CC1CCCSC1.
What is the InChIKey of (2S)-1-(thian-3-yl)propan-2-amine?
The InChIKey is AIWSMSGFIQHKPO-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9)5-8-3-2-4-10-6-8/h7-8H,2-6,9H2,1H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-(thian-3-yl)propan-2-amine?
(2S)-1-(thian-3-yl)propan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(thian-3-yl)propan-2-amine is sourced from PubChem (CID 157129438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).