2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide

C14H27ClN2O3S — CID 79556542

IUPAC2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H27ClN2O3S/c1-12(9-15)11-21(19,20)16(2)10-14(18)17(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3
InChIKeyBKVWGFHAOIDZPU-UHFFFAOYSA-N
MW338.90 g/mol
LogP1.91
Rot. Bonds7

About 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide

2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide (PubChem CID 79556542) has the molecular formula C14H27ClN2O3S and a molecular weight of 338.90 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide
PubChem CID79556542
Molecular FormulaC14H27ClN2O3S
Molecular Weight338.90 g/mol
Exact Mass338.14
IUPAC Name2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H27ClN2O3S/c1-12(9-15)11-21(19,20)16(2)10-14(18)17(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3
InChIKeyBKVWGFHAOIDZPU-UHFFFAOYSA-N
XLogP1.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide (CID 79556542) is 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide is CC(CCl)CS(=O)(=O)N(C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is BKVWGFHAOIDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O3S/c1-12(9-15)11-21(19,20)16(2)10-14(18)17(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide?
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 338.90 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 79556542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).