2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine

C12H23NO2S — CID 61382222

IUPAC2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S/c1-2-13-12-6-4-3-5-11(12)10-7-8-16(14,15)9-10/h10-13H,2-9H2,1H3
InChIKeyPCVDLUYAVFBTJF-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine (PubChem CID 61382222) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine
PubChem CID61382222
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S/c1-2-13-12-6-4-3-5-11(12)10-7-8-16(14,15)9-10/h10-13H,2-9H2,1H3
InChIKeyPCVDLUYAVFBTJF-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 146394237
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128693
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine (CID 61382222) is 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine is CCNC1CCCCC1C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine?
The InChIKey is PCVDLUYAVFBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-13-12-6-4-3-5-11(12)10-7-8-16(14,15)9-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 61382222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).