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

C6H13NS2 — CID 131218953

IUPAC(2R,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-NTSWFWBYSA-N
MW163.31 g/mol
LogP1.53
Rot. Bonds

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

(2R,3S)-2,3-dimethyl-1,4-dithian-2-amine (PubChem CID 131218953) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-1,4-dithian-2-amine
PubChem CID131218953
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name(2R,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-NTSWFWBYSA-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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Related Compounds

N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
CID 87075304
2-Ethylsulfanylpropan-2-amine
CID 87997679
2,4-Dimethyl-1,3,5-trithian-2-amine
CID 88520496
2-(1,3-Dithian-2-yl)propan-2-amine
CID 89370954
2-[[5-(Propan-2-ylsulfanylmethyl)-1,4-dithian-2-yl]methylsulfanyl]propan-2-amine
CID 91425856
2-Propan-2-ylsulfanylpropan-2-amine
CID 117032548
1,2-Dimethyl-1-sulfanylthietan-2-amine
CID 135231058
2-(2-Aminobutan-2-ylsulfanyl)ethanethiol
CID 166668689
(2S,3R)-2,3-dimethyl-1,4-dithian-2-amine
CID 23243058
(2S,3S)-2,3-dimethyl-1,4-dithian-2-amine
CID 23243059
(2R,3R)-2,3-dimethyl-1,4-dithian-2-amine
CID 100927393
(2R,3R)-2,3-diethyl-1,4-dithian-2-amine
CID 100927394

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The IUPAC name of (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine (CID 131218953) is (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The canonical SMILES for (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine is C[C@@H]1SCCS[C@@]1(C)N.
What is the InChIKey of (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine?
The InChIKey is PKNBYJWRMIPFRM-NTSWFWBYSA-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 (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine?
(2R,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 (2R,3S)-2,3-dimethyl-1,4-dithian-2-amine is sourced from PubChem (CID 131218953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).