N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C18H30N2O4S — CID 109145629

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCC(C(=O)N2CCCC2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H30N2O4S/c1-2-20(16-9-12-25(23,24)13-16)18(22)15-7-5-14(6-8-15)17(21)19-10-3-4-11-19/h14-16H,2-13H2,1H3
InChIKeyOXFJCVORTPAOFB-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.45
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145629) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145629
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCC(C(=O)N2CCCC2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H30N2O4S/c1-2-20(16-9-12-25(23,24)13-16)18(22)15-7-5-14(6-8-15)17(21)19-10-3-4-11-19/h14-16H,2-13H2,1H3
InChIKeyOXFJCVORTPAOFB-UHFFFAOYSA-N
XLogP1.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)cyclohexane-1-carboxamide
CID 109146781
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149349
9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984807
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051668
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
N-(1,1-dioxothiolan-3-yl)-4-(4-formylpiperazine-1-carbonyl)-N-methylcyclohexane-1-carboxamide
CID 109147609
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
CID 110682084
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113181964
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55995107
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145629) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CCN(C(=O)C1CCC(C(=O)N2CCCC2)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is OXFJCVORTPAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-2-20(16-9-12-25(23,24)13-16)18(22)15-7-5-14(6-8-15)17(21)19-10-3-4-11-19/h14-16H,2-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).