N,3-dimethyl-1-oxothiolan-3-amine

C6H13NOS — CID 162359004

IUPACN,3-dimethyl-1-oxothiolan-3-amine
SMILESCNC1(C)CCS(=O)C1
InChIInChI=1S/C6H13NOS/c1-6(7-2)3-4-9(8)5-6/h7H,3-5H2,1-2H3
InChIKeyYLFFPIMCSSCRNW-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.12
Rot. Bonds1

About N,3-dimethyl-1-oxothiolan-3-amine

N,3-dimethyl-1-oxothiolan-3-amine (PubChem CID 162359004) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N,3-dimethyl-1-oxothiolan-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-oxothiolan-3-amine
PubChem CID162359004
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN,3-dimethyl-1-oxothiolan-3-amine
SMILESCNC1(C)CCS(=O)C1
InChIInChI=1S/C6H13NOS/c1-6(7-2)3-4-9(8)5-6/h7H,3-5H2,1-2H3
InChIKeyYLFFPIMCSSCRNW-UHFFFAOYSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-1-oxothietan-3-amine
CID 162358806
1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide
CID 163242161
6λ4-thia-2-azaspiro[3.4]octane 6-oxide
CID 139492801
1-methyl-2-(1-methylcyclopropyl)hydrazine
CID 123432267
N,3-dimethylthietan-3-amine
CID 83478562
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
1-(2-cyclopropylethyl)-N,4-dimethylpiperidin-4-amine
CID 115305380
N,4-dimethyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115305084
cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
CID 55288298
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-oxothiolan-3-amine?
The IUPAC name of N,3-dimethyl-1-oxothiolan-3-amine (CID 162359004) is N,3-dimethyl-1-oxothiolan-3-amine.
What is the SMILES notation for N,3-dimethyl-1-oxothiolan-3-amine?
The canonical SMILES for N,3-dimethyl-1-oxothiolan-3-amine is CNC1(C)CCS(=O)C1.
What is the InChIKey of N,3-dimethyl-1-oxothiolan-3-amine?
The InChIKey is YLFFPIMCSSCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(7-2)3-4-9(8)5-6/h7H,3-5H2,1-2H3.
What are the key properties of N,3-dimethyl-1-oxothiolan-3-amine?
N,3-dimethyl-1-oxothiolan-3-amine has a molecular weight of 147.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-oxothiolan-3-amine is sourced from PubChem (CID 162359004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).