N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide

C12H21NO3S — CID 7259495

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-13(11-7-8-17(15,16)9-11)12(14)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyBARYZANWYBXOAC-LLVKDONJSA-N
MW259.37 g/mol
LogP1.21
Rot. Bonds2

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide (PubChem CID 7259495) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide
PubChem CID7259495
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-13(11-7-8-17(15,16)9-11)12(14)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyBARYZANWYBXOAC-LLVKDONJSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.21
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
3-Cyclohexyl-1-(3-(methylsulfonyl)pyrrolidin-1-yl)propan-1-one
CID 71805507
2-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-methylcyclohexyl)acetamide
CID 3841524

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide (CID 7259495) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide?
The InChIKey is BARYZANWYBXOAC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-13(11-7-8-17(15,16)9-11)12(14)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide has a molecular weight of 259.37 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 7259495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).