N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine

C10H21NO2S — CID 103829133

IUPACN-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)(CC)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-10(3,5-2)11-9-6-7-14(12,13)8-9/h9,11H,4-8H2,1-3H3
InChIKeyRJAWCXSTRWYMLB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds4

About N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine

N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine (PubChem CID 103829133) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
PubChem CID103829133
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)(CC)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-10(3,5-2)11-9-6-7-14(12,13)8-9/h9,11H,4-8H2,1-3H3
InChIKeyRJAWCXSTRWYMLB-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 103698424
N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
CID 43511422
2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851114
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
2-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylbutanamide
CID 114290964
1-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
N-heptan-4-yl-1,1-dioxothiolan-3-amine
CID 43191007
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
N-(5-methylheptan-3-yl)-1,1-dioxothiolan-3-amine
CID 43191011

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine (CID 103829133) is N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine is CCC(C)(CC)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is RJAWCXSTRWYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(3,5-2)11-9-6-7-14(12,13)8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine?
N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 103829133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).