N,3-dimethylthietan-3-amine

C5H11NS — CID 83478562

IUPACN,3-dimethylthietan-3-amine
SMILESCNC1(C)CSC1
InChIInChI=1S/C5H11NS/c1-5(6-2)3-7-4-5/h6H,3-4H2,1-2H3
InChIKeyIPYZVQAXLPAHIZ-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds1

About N,3-dimethylthietan-3-amine

N,3-dimethylthietan-3-amine (PubChem CID 83478562) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N,3-dimethylthietan-3-amine.

Molecular Properties

Compound NameN,3-dimethylthietan-3-amine
PubChem CID83478562
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN,3-dimethylthietan-3-amine
SMILESCNC1(C)CSC1
InChIInChI=1S/C5H11NS/c1-5(6-2)3-7-4-5/h6H,3-4H2,1-2H3
InChIKeyIPYZVQAXLPAHIZ-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
CID 148922193
CID 148922193
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
N,3-dimethyl-1-oxothietan-3-amine
CID 162358806
1-methyl-2-(1-methylcyclopropyl)hydrazine
CID 123432267
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
3-tert-butyl-3-methylthietane
CID 58524143
N-methyl-2-(5-thiaspiro[2.3]hexan-2-yl)ethanamine
CID 84650664
N-(3-methylthiolan-3-yl)acetamide
CID 129016909
(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine
CID 59704389
3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine
CID 123247784
3,3,5,5-tetramethylthian-4-one
CID 12590192

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylthietan-3-amine?
The IUPAC name of N,3-dimethylthietan-3-amine (CID 83478562) is N,3-dimethylthietan-3-amine.
What is the SMILES notation for N,3-dimethylthietan-3-amine?
The canonical SMILES for N,3-dimethylthietan-3-amine is CNC1(C)CSC1.
What is the InChIKey of N,3-dimethylthietan-3-amine?
The InChIKey is IPYZVQAXLPAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(6-2)3-7-4-5/h6H,3-4H2,1-2H3.
What are the key properties of N,3-dimethylthietan-3-amine?
N,3-dimethylthietan-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylthietan-3-amine is sourced from PubChem (CID 83478562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).