1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide

C12H25NO3S — CID 54947578

IUPAC1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-8-13(9-10-14)17(15,16)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyYUYMXKPMIGMMST-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds7

About 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide

1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide (PubChem CID 54947578) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
PubChem CID54947578
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-8-13(9-10-14)17(15,16)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyYUYMXKPMIGMMST-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
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-propylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide (CID 54947578) is 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide is CCCN(CCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The InChIKey is YUYMXKPMIGMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-8-13(9-10-14)17(15,16)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
1-cyclohexyl-N-(2-hydroxyethyl)-N-propylmethanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.60, 7 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-propylmethanesulfonamide is sourced from PubChem (CID 54947578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).