2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

C14H26N2O4S — CID 60694187

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c17-8-7-16(13-4-2-1-3-5-13)10-14(18)15-12-6-9-21(19,20)11-12/h12-13,17H,1-11H2,(H,15,18)
InChIKeyQUZULWWEQJPPCX-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.08
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 60694187) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID60694187
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c17-8-7-16(13-4-2-1-3-5-13)10-14(18)15-12-6-9-21(19,20)11-12/h12-13,17H,1-11H2,(H,15,18)
InChIKeyQUZULWWEQJPPCX-UHFFFAOYSA-N
XLogP-0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47237189
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 61232030
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
3-[(3S)-1,1-dioxothiolan-3-yl]-1,1-bis(2-hydroxyethyl)thiourea
CID 40549359
2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
CID 43319655
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 60694187) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CN(CCO)C1CCCCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QUZULWWEQJPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c17-8-7-16(13-4-2-1-3-5-13)10-14(18)15-12-6-9-21(19,20)11-12/h12-13,17H,1-11H2,(H,15,18).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 318.44 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 60694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).