(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine

C12H23NO2S — CID 164634032

IUPAC(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)C1CC(N[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H23NO2S/c1-12(2,3)9-6-11(7-9)13-10-4-5-16(14,15)8-10/h9-11,13H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyKCJUIRHBTUVEEV-YVNMAJEFSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds2

About (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine

(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine (PubChem CID 164634032) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
PubChem CID164634032
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)C1CC(N[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H23NO2S/c1-12(2,3)9-6-11(7-9)13-10-4-5-16(14,15)8-10/h9-11,13H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyKCJUIRHBTUVEEV-YVNMAJEFSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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
(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2,2-diethylbutan-1-amine
CID 97262516
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
3-(1,1-dioxothiolan-3-yl)-3-fluoro-N-methylbutan-1-amine
CID 105480918
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617577
2-(methylsulfonyl)-6-Azaspiro[3.4]octane
CID 145912916
N-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
CID 43177578
4-Methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 57138235
3-Ethyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium
CID 58091816
3-Ethyl-4-(methylsulfonylmethyl)pyrrolidine
CID 58091817
3-(Tert-butylsulfonylmethyl)-4-(2,2-dimethylpropyl)pyrrolidine
CID 68259947

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine (CID 164634032) is (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine is CC(C)(C)C1CC(N[C@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is KCJUIRHBTUVEEV-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-12(2,3)9-6-11(7-9)13-10-4-5-16(14,15)8-10/h9-11,13H,4-8H2,1-3H3/t9?,10-,11?/m0/s1.
What are the key properties of (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine?
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 164634032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).