(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine

C6H13NS2 — CID 23243059

IUPAC(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine
SMILESC[C@@H]1SCCS[C@]1(C)N
InChIInChI=1S/C6H13NS2/c1-5-6(2,7)9-4-3-8-5/h5H,3-4,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyPKNBYJWRMIPFRM-WDSKDSINSA-N
MW163.31 g/mol
LogP1.53
Rot. Bonds

About (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine

(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine (PubChem CID 23243059) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine
PubChem CID23243059
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine
SMILESC[C@@H]1SCCS[C@]1(C)N
InChIInChI=1S/C6H13NS2/c1-5-6(2,7)9-4-3-8-5/h5H,3-4,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyPKNBYJWRMIPFRM-WDSKDSINSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The IUPAC name of (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine (CID 23243059) is (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine is C[C@@H]1SCCS[C@]1(C)N.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The InChIKey is PKNBYJWRMIPFRM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NS2/c1-5-6(2,7)9-4-3-8-5/h5H,3-4,7H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine?
(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine has a molecular weight of 163.31 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1,4-dithian-2-amine is sourced from PubChem (CID 23243059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).