ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate

C16H28N2O5S — CID 99976032

IUPACethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
SMILESCCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O5S/c1-2-23-16(20)18(14-8-11-24(21,22)12-14)10-9-17-15(19)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyRZCPYIDJDIKWQI-CQSZACIVSA-N
MW360.48 g/mol
LogP1.33
Rot. Bonds6

About ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate

ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate (PubChem CID 99976032) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
PubChem CID99976032
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Nameethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
SMILESCCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O5S/c1-2-23-16(20)18(14-8-11-24(21,22)12-14)10-9-17-15(19)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyRZCPYIDJDIKWQI-CQSZACIVSA-N
XLogP1.33
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149349
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 99976652
ethyl N-(dimethylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 99976651
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
CID 113056020
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113056079
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
ethyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoacetate
CID 3720858
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate (CID 99976032) is ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate is CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The InChIKey is RZCPYIDJDIKWQI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-2-23-16(20)18(14-8-11-24(21,22)12-14)10-9-17-15(19)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate has a molecular weight of 360.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate is sourced from PubChem (CID 99976032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).