(3S)-thiolan-3-amine

C4H9NS — CID 14391877

IUPAC(3S)-thiolan-3-amine
SMILESN[C@H]1CCSC1
InChIInChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2/t4-/m0/s1
InChIKeyGBNRIMMKLMTDLW-BYPYZUCNSA-N
MW103.19 g/mol
LogP0.45
Rot. Bonds

About (3S)-thiolan-3-amine

(3S)-thiolan-3-amine (PubChem CID 14391877) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (3S)-thiolan-3-amine.

Molecular Properties

Compound Name(3S)-thiolan-3-amine
PubChem CID14391877
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(3S)-thiolan-3-amine
SMILESN[C@H]1CCSC1
InChIInChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2/t4-/m0/s1
InChIKeyGBNRIMMKLMTDLW-BYPYZUCNSA-N
XLogP0.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-thiolan-3-amine?
The IUPAC name of (3S)-thiolan-3-amine (CID 14391877) is (3S)-thiolan-3-amine.
What is the SMILES notation for (3S)-thiolan-3-amine?
The canonical SMILES for (3S)-thiolan-3-amine is N[C@H]1CCSC1.
What is the InChIKey of (3S)-thiolan-3-amine?
The InChIKey is GBNRIMMKLMTDLW-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2/t4-/m0/s1.
What are the key properties of (3S)-thiolan-3-amine?
(3S)-thiolan-3-amine has a molecular weight of 103.19 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-thiolan-3-amine is sourced from PubChem (CID 14391877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).