(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine

C7H16N2S — CID 135208170

IUPAC(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine
SMILESCN[C@@]1(C)CSC[C@@]1(C)N
InChIInChI=1S/C7H16N2S/c1-6(8)4-10-5-7(6,2)9-3/h9H,4-5,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyYSASIFKWCIULBY-RQJHMYQMSA-N
MW160.29 g/mol
LogP0.43
Rot. Bonds1

About (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine

(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine (PubChem CID 135208170) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine.

Molecular Properties

Compound Name(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine
PubChem CID135208170
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine
SMILESCN[C@@]1(C)CSC[C@@]1(C)N
InChIInChI=1S/C7H16N2S/c1-6(8)4-10-5-7(6,2)9-3/h9H,4-5,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyYSASIFKWCIULBY-RQJHMYQMSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine?
The IUPAC name of (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine (CID 135208170) is (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine.
What is the SMILES notation for (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine?
The canonical SMILES for (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine is CN[C@@]1(C)CSC[C@@]1(C)N.
What is the InChIKey of (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine?
The InChIKey is YSASIFKWCIULBY-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(8)4-10-5-7(6,2)9-3/h9H,4-5,8H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine?
(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine has a molecular weight of 160.29 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine is sourced from PubChem (CID 135208170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).