N,5-dimethyl-1,1-dioxothiolan-3-amine

C6H13NO2S — CID 83905426

IUPACN,5-dimethyl-1,1-dioxothiolan-3-amine
SMILESCNC1CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-5-3-6(7-2)4-10(5,8)9/h5-7H,3-4H2,1-2H3
InChIKeyNMIIUMLNBSPHLS-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds1

About N,5-dimethyl-1,1-dioxothiolan-3-amine

N,5-dimethyl-1,1-dioxothiolan-3-amine (PubChem CID 83905426) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N,5-dimethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1,1-dioxothiolan-3-amine
PubChem CID83905426
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN,5-dimethyl-1,1-dioxothiolan-3-amine
SMILESCNC1CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-5-3-6(7-2)4-10(5,8)9/h5-7H,3-4H2,1-2H3
InChIKeyNMIIUMLNBSPHLS-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1,1-dioxothian-4-amine
CID 155183719
N-(2-methyl-1,1-dioxothian-4-yl)prop-2-enamide
CID 139020035
4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 54222403
(2S)-2,3-dimethylthietane 1,1-dioxide
CID 130381680
2-methyl-1,3-dithietane 1,1,3,3-tetraoxide
CID 89335035
(5S)-N,1,5-trimethylpiperidin-3-amine
CID 174025014
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 131002770
3-cyclopropyl-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66225142
N,1,2,6-tetramethylpiperidin-4-amine
CID 59421618

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N,5-dimethyl-1,1-dioxothiolan-3-amine (CID 83905426) is N,5-dimethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N,5-dimethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N,5-dimethyl-1,1-dioxothiolan-3-amine is CNC1CC(C)S(=O)(=O)C1.
What is the InChIKey of N,5-dimethyl-1,1-dioxothiolan-3-amine?
The InChIKey is NMIIUMLNBSPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-3-6(7-2)4-10(5,8)9/h5-7H,3-4H2,1-2H3.
What are the key properties of N,5-dimethyl-1,1-dioxothiolan-3-amine?
N,5-dimethyl-1,1-dioxothiolan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 83905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).