N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide

C14H29NO3S — CID 166726899

IUPACN-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC(C)C1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-12(2)15(19(4,17)18)11-8-13(3)14(16)9-6-5-7-10-14/h12-13,16H,5-11H2,1-4H3
InChIKeyRUGIORCOGCUWAA-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.38
Rot. Bonds6

About N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide

N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 166726899) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide
PubChem CID166726899
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC(C)C1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-12(2)15(19(4,17)18)11-8-13(3)14(16)9-6-5-7-10-14/h12-13,16H,5-11H2,1-4H3
InChIKeyRUGIORCOGCUWAA-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide (CID 166726899) is N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide is CC(C)N(CCC(C)C1(O)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is RUGIORCOGCUWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-12(2)15(19(4,17)18)11-8-13(3)14(16)9-6-5-7-10-14/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide?
N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 166726899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).