4-aminothiolan-3-ol

C4H9NOS — CID 2865115

IUPAC4-aminothiolan-3-ol
SMILESNC1CSCC1O
InChIInChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2
InChIKeyLNYNSKJTNYTLNL-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.58
Rot. Bonds

About 4-aminothiolan-3-ol

4-aminothiolan-3-ol (PubChem CID 2865115) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 4-aminothiolan-3-ol.

Molecular Properties

Compound Name4-aminothiolan-3-ol
PubChem CID2865115
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name4-aminothiolan-3-ol
SMILESNC1CSCC1O
InChIInChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2
InChIKeyLNYNSKJTNYTLNL-UHFFFAOYSA-N
XLogP-0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminotetrahydrothiophene-3-ol 1,1-dioxide
CID 293713
rac-(3R,4R)-3-amino-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 7059054
rac-(3R,4S)-4-aminothiolan-3-ol hydrochloride
CID 12203567
S-propylamine-L-cysteine
CID 23644529
(2R)-2-amino-3-(methylsulfanyl)propan-1-ol
CID 12025967
2-Amino-3-(methylsulfanyl)propan-1-ol
CID 328698
(2S)-2-amino-3-(methylsulfanyl)propan-1-ol
CID 11263498
(3R,4S)-4-aminothiolan-3-ol
CID 1361795
(3S,4S)-4-aminothiolan-3-ol
CID 1361796
Thiophene-3-ol, 4-aminotetrahydro-, 1,1-dioxide, (3S,4R)-
CID 1380000
rel-(3R,4R)-3-Amino-4-hydroxytetrahydrothiophene 1,1-dioxide
CID 1379999
4-Aminotetrahydrothiophen-3-ol hydrochloride
CID 2865114

Frequently Asked Questions

What is the IUPAC name of 4-aminothiolan-3-ol?
The IUPAC name of 4-aminothiolan-3-ol (CID 2865115) is 4-aminothiolan-3-ol.
What is the SMILES notation for 4-aminothiolan-3-ol?
The canonical SMILES for 4-aminothiolan-3-ol is NC1CSCC1O.
What is the InChIKey of 4-aminothiolan-3-ol?
The InChIKey is LNYNSKJTNYTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2.
What are the key properties of 4-aminothiolan-3-ol?
4-aminothiolan-3-ol has a molecular weight of 119.19 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiolan-3-ol is sourced from PubChem (CID 2865115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).