N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide

C14H27NO3S — CID 3027789

IUPACN-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide
SMILESCCC(CC)(C(=O)NC1CCCCC1)S(=O)(=O)CC
InChIInChI=1S/C14H27NO3S/c1-4-14(5-2,19(17,18)6-3)13(16)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyONTYQZVYQPPOIT-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.43
Rot. Bonds6

About N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide

N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide (PubChem CID 3027789) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide
PubChem CID3027789
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide
SMILESCCC(CC)(C(=O)NC1CCCCC1)S(=O)(=O)CC
InChIInChI=1S/C14H27NO3S/c1-4-14(5-2,19(17,18)6-3)13(16)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyONTYQZVYQPPOIT-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide?
The IUPAC name of N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide (CID 3027789) is N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide?
The canonical SMILES for N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide is CCC(CC)(C(=O)NC1CCCCC1)S(=O)(=O)CC.
What is the InChIKey of N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide?
The InChIKey is ONTYQZVYQPPOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-4-14(5-2,19(17,18)6-3)13(16)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide?
N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide has a molecular weight of 289.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-2-ethylsulfonylbutanamide is sourced from PubChem (CID 3027789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).