N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine

C10H21NO2S — CID 58404944

IUPACN-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-9(2)4-6-11(3)10-5-7-14(12,13)8-10/h9-10H,4-8H2,1-3H3
InChIKeyVSLJGHJHSLPKSF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine

N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine (PubChem CID 58404944) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine
PubChem CID58404944
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-9(2)4-6-11(3)10-5-7-14(12,13)8-10/h9-10H,4-8H2,1-3H3
InChIKeyVSLJGHJHSLPKSF-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine (CID 58404944) is N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine is CC(C)CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is VSLJGHJHSLPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)4-6-11(3)10-5-7-14(12,13)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine?
N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 58404944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).