N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide

C17H30N2O4S — CID 18801466

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide
SMILESO=C(CNCC1CCOC1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H30N2O4S/c20-17(11-18-10-14-6-8-23-12-14)19(15-4-2-1-3-5-15)16-7-9-24(21,22)13-16/h14-16,18H,1-13H2
InChIKeyQAAUIVLGBIJYQX-UHFFFAOYSA-N
MW358.50 g/mol
LogP0.96
Rot. Bonds6

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide (PubChem CID 18801466) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide
PubChem CID18801466
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide
SMILESO=C(CNCC1CCOC1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H30N2O4S/c20-17(11-18-10-14-6-8-23-12-14)19(15-4-2-1-3-5-15)16-7-9-24(21,22)13-16/h14-16,18H,1-13H2
InChIKeyQAAUIVLGBIJYQX-UHFFFAOYSA-N
XLogP0.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61058397
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide
CID 110853784
N-ethyl-N-methyl-2-(oxolan-3-ylmethylamino)acetamide
CID 61040421
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42919595
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(triazol-1-yl)acetamide
CID 164640200
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
CID 51248896
2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 26530759
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919657
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583286
[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8902315

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide (CID 18801466) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide is O=C(CNCC1CCOC1)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide?
The InChIKey is QAAUIVLGBIJYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4S/c20-17(11-18-10-14-6-8-23-12-14)19(15-4-2-1-3-5-15)16-7-9-24(21,22)13-16/h14-16,18H,1-13H2.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide has a molecular weight of 358.50 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide is sourced from PubChem (CID 18801466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).