N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

C12H23NO2S — CID 103562120

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H23NO2S/c1-9(2)10-6-11(7-10)13-8-12-4-3-5-16(12,14)15/h9-13H,3-8H2,1-2H3
InChIKeyLZQVFSUNZPLNQW-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562120) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562120
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H23NO2S/c1-9(2)10-6-11(7-10)13-8-12-4-3-5-16(12,14)15/h9-13H,3-8H2,1-2H3
InChIKeyLZQVFSUNZPLNQW-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonyl-6-azaspiro[3.4]octane hydrochloride
CID 145912915
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
3-Cyclobutyl-1lambda6-thiomorpholine-1,1-dione
CID 105443920
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 164634032
3-(1,1-dioxothiolan-3-yl)-3-fluoro-N-methylpropan-1-amine
CID 105463175
3-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463182
3-(1,1-dioxothiolan-3-yl)-3-fluoro-N-methylbutan-1-amine
CID 105480918
3-(3-Ethylsulfonylpropyl)-3-fluoropyrrolidine
CID 112564377
2-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899353

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103562120) is N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(NCC2CCCS2(=O)=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is LZQVFSUNZPLNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9(2)10-6-11(7-10)13-8-12-4-3-5-16(12,14)15/h9-13H,3-8H2,1-2H3.
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).