1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

C13H27NO3S — CID 54947525

IUPAC1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-12(2)14(9-6-10-15)18(16,17)11-13-7-4-3-5-8-13/h12-13,15H,3-11H2,1-2H3
InChIKeyPXFSAHALEJYCOY-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.99
Rot. Bonds7

About 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 54947525) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID54947525
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-12(2)14(9-6-10-15)18(16,17)11-13-7-4-3-5-8-13/h12-13,15H,3-11H2,1-2H3
InChIKeyPXFSAHALEJYCOY-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (CID 54947525) is 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is PXFSAHALEJYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-12(2)14(9-6-10-15)18(16,17)11-13-7-4-3-5-8-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 54947525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).