3,4-dimethylthiolan-2-amine

C6H13NS — CID 167002607

IUPAC3,4-dimethylthiolan-2-amine
SMILESCC1CSC(N)C1C
InChIInChI=1S/C6H13NS/c1-4-3-8-6(7)5(4)2/h4-6H,3,7H2,1-2H3
InChIKeyQQTNROJQHWTWJU-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.29
Rot. Bonds

About 3,4-dimethylthiolan-2-amine

3,4-dimethylthiolan-2-amine (PubChem CID 167002607) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,4-dimethylthiolan-2-amine.

Molecular Properties

Compound Name3,4-dimethylthiolan-2-amine
PubChem CID167002607
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,4-dimethylthiolan-2-amine
SMILESCC1CSC(N)C1C
InChIInChI=1S/C6H13NS/c1-4-3-8-6(7)5(4)2/h4-6H,3,7H2,1-2H3
InChIKeyQQTNROJQHWTWJU-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,3-dimethylthietane
CID 130381786
(2R,3S)-2,3-dimethylthietane
CID 162937178
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
3,4,5-trimethylcyclohexan-1-amine
CID 130371803
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
2-methylthiirane;thiirane
CID 22367971
(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-amine
CID 124709446
3-amino-4-methylthiolan-2-one
CID 55290586
3,4-dimethylcyclopentane-1,2-diamine
CID 20514197
2,4-dimethyl-1,3,5-trithian-2-amine
CID 88520496
3-methyl-2,3,3a,7a-tetrahydro-1-benzothiophen-7-amine
CID 166919196

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthiolan-2-amine?
The IUPAC name of 3,4-dimethylthiolan-2-amine (CID 167002607) is 3,4-dimethylthiolan-2-amine.
What is the SMILES notation for 3,4-dimethylthiolan-2-amine?
The canonical SMILES for 3,4-dimethylthiolan-2-amine is CC1CSC(N)C1C.
What is the InChIKey of 3,4-dimethylthiolan-2-amine?
The InChIKey is QQTNROJQHWTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-3-8-6(7)5(4)2/h4-6H,3,7H2,1-2H3.
What are the key properties of 3,4-dimethylthiolan-2-amine?
3,4-dimethylthiolan-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiolan-2-amine is sourced from PubChem (CID 167002607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).