2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H32N2O4S — CID 55409966

IUPAC2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C18H32N2O4S/c1-19(15-6-3-2-4-7-15)13-18(21)20(12-17-8-5-10-24-17)16-9-11-25(22,23)14-16/h15-17H,2-14H2,1H3
InChIKeyDGZRDJSRAHWQBU-UHFFFAOYSA-N
MW372.53 g/mol
LogP1.45
Rot. Bonds6

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

2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55409966) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID55409966
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C18H32N2O4S/c1-19(15-6-3-2-4-7-15)13-18(21)20(12-17-8-5-10-24-17)16-9-11-25(22,23)14-16/h15-17H,2-14H2,1H3
InChIKeyDGZRDJSRAHWQBU-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025370
3-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95150130
2-[1-adamantylmethyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 78827698
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 60500255
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156
2-[benzyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409905
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409815
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648628
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409841
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409917
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3R)-3-methylpiperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124740920
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55409966) is 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DGZRDJSRAHWQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S/c1-19(15-6-3-2-4-7-15)13-18(21)20(12-17-8-5-10-24-17)16-9-11-25(22,23)14-16/h15-17H,2-14H2,1H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55409966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).