2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C15H28N2O3S — CID 94814145

IUPAC2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCCC1
InChIInChI=1S/C15H28N2O3S/c1-17(14-7-5-3-2-4-6-8-14)11-15(18)16-13-9-10-21(19,20)12-13/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIRIHENYZHJEKJS-ZDUSSCGKSA-N
MW316.47 g/mol
LogP1.33
Rot. Bonds4

About 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 94814145) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID94814145
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCCC1
InChIInChI=1S/C15H28N2O3S/c1-17(14-7-5-3-2-4-6-8-14)11-15(18)16-13-9-10-21(19,20)12-13/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIRIHENYZHJEKJS-ZDUSSCGKSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 94814145) is 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCCC1.
What is the InChIKey of 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is IRIHENYZHJEKJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-17(14-7-5-3-2-4-6-8-14)11-15(18)16-13-9-10-21(19,20)12-13/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 316.47 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 94814145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).