(3S,4R)-4-methylthiolan-3-amine

C5H11NS — CID 55284315

IUPAC(3S,4R)-4-methylthiolan-3-amine
SMILESC[C@H]1CSC[C@H]1N
InChIInChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5+/m0/s1
InChIKeyKIMYQDGXIBABDJ-CRCLSJGQSA-N
MW117.22 g/mol
LogP0.70
Rot. Bonds

About (3S,4R)-4-methylthiolan-3-amine

(3S,4R)-4-methylthiolan-3-amine (PubChem CID 55284315) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (3S,4R)-4-methylthiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-methylthiolan-3-amine
PubChem CID55284315
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(3S,4R)-4-methylthiolan-3-amine
SMILESC[C@H]1CSC[C@H]1N
InChIInChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5+/m0/s1
InChIKeyKIMYQDGXIBABDJ-CRCLSJGQSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 522918
CID 522918
CID 522917
CID 522917
CID 55284188
CID 55284188
CID 55284308
CID 55284308
CID 83904788
CID 83904788
CID 121553849
CID 121553849
CID 23551742
CID 23551742
CID 55284309
CID 55284309
CID 10750740
CID 10750740
CID 12097402
CID 12097402
CID 14391877
CID 14391877
CID 14391878
CID 14391878

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methylthiolan-3-amine?
The IUPAC name of (3S,4R)-4-methylthiolan-3-amine (CID 55284315) is (3S,4R)-4-methylthiolan-3-amine.
What is the SMILES notation for (3S,4R)-4-methylthiolan-3-amine?
The canonical SMILES for (3S,4R)-4-methylthiolan-3-amine is C[C@H]1CSC[C@H]1N.
What is the InChIKey of (3S,4R)-4-methylthiolan-3-amine?
The InChIKey is KIMYQDGXIBABDJ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-4-methylthiolan-3-amine?
(3S,4R)-4-methylthiolan-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methylthiolan-3-amine is sourced from PubChem (CID 55284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).