1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide

C14H29NO3S — CID 54998703

IUPAC1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H29NO3S/c1-3-14(4-2)15(10-11-16)19(17,18)12-13-8-6-5-7-9-13/h13-14,16H,3-12H2,1-2H3
InChIKeyLWQKSKNZCTZZOL-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.38
Rot. Bonds8

About 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide

1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide (PubChem CID 54998703) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
PubChem CID54998703
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H29NO3S/c1-3-14(4-2)15(10-11-16)19(17,18)12-13-8-6-5-7-9-13/h13-14,16H,3-12H2,1-2H3
InChIKeyLWQKSKNZCTZZOL-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide (CID 54998703) is 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The InChIKey is LWQKSKNZCTZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-14(4-2)15(10-11-16)19(17,18)12-13-8-6-5-7-9-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 54998703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).