N,N-dimethylthietan-3-amine

C5H11NS — CID 123523007

IUPACN,N-dimethylthietan-3-amine
SMILESCN(C)C1CSC1
InChIInChI=1S/C5H11NS/c1-6(2)5-3-7-4-5/h5H,3-4H2,1-2H3
InChIKeyKUIUWLZIMJHHDC-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.66
Rot. Bonds1

About N,N-dimethylthietan-3-amine

N,N-dimethylthietan-3-amine (PubChem CID 123523007) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N,N-dimethylthietan-3-amine.

Molecular Properties

Compound NameN,N-dimethylthietan-3-amine
PubChem CID123523007
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN,N-dimethylthietan-3-amine
SMILESCN(C)C1CSC1
InChIInChI=1S/C5H11NS/c1-6(2)5-3-7-4-5/h5H,3-4H2,1-2H3
InChIKeyKUIUWLZIMJHHDC-UHFFFAOYSA-N
XLogP0.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylthietan-3-amine?
The IUPAC name of N,N-dimethylthietan-3-amine (CID 123523007) is N,N-dimethylthietan-3-amine.
What is the SMILES notation for N,N-dimethylthietan-3-amine?
The canonical SMILES for N,N-dimethylthietan-3-amine is CN(C)C1CSC1.
What is the InChIKey of N,N-dimethylthietan-3-amine?
The InChIKey is KUIUWLZIMJHHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6(2)5-3-7-4-5/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethylthietan-3-amine?
N,N-dimethylthietan-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylthietan-3-amine is sourced from PubChem (CID 123523007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).