N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide

C15H27NO3S — CID 7259498

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)CN(C(=O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO3S/c1-12(2)10-16(14-8-9-20(18,19)11-14)15(17)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyJBRZYNZHXWODSN-AWEZNQCLSA-N
MW301.45 g/mol
LogP2.24
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide (PubChem CID 7259498) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide
PubChem CID7259498
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)CN(C(=O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO3S/c1-12(2)10-16(14-8-9-20(18,19)11-14)15(17)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyJBRZYNZHXWODSN-AWEZNQCLSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylcyclopentanecarboxamide
CID 16268999
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)cyclohexanecarboxamide
CID 16269005
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)cyclopentanecarboxamide
CID 18573528
4-butyl-N-(1,1-dioxidotetrahydro-3-thienyl)cyclohexanecarboxamide
CID 2964618
N-(1,1-dioxothiolan-3-yl)-N-methylcyclohexanecarboxamide
CID 18573529
N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide
CID 18573527
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide
CID 16265691
2-cyclohexyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 3899063
2-cyclohexyl-N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 49724754
3-cyclohexyl-N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)propanamide
CID 49724756
2-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-methylcyclohexyl)acetamide
CID 3841524
(3R)-N-(4-methylcyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 25676322

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide (CID 7259498) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide is CC(C)CN(C(=O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide?
The InChIKey is JBRZYNZHXWODSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-12(2)10-16(14-8-9-20(18,19)11-14)15(17)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide has a molecular weight of 301.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 7259498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).