N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide

C9H19NO3S — CID 64724784

IUPACN-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10-8-9(11)6-4-3-5-7-9/h10-11H,2-8H2,1H3
InChIKeyYHBNBEFFWSZATH-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.62
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide

N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide (PubChem CID 64724784) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide
PubChem CID64724784
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10-8-9(11)6-4-3-5-7-9/h10-11H,2-8H2,1H3
InChIKeyYHBNBEFFWSZATH-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide (CID 64724784) is N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide?
The InChIKey is YHBNBEFFWSZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-14(12,13)10-8-9(11)6-4-3-5-7-9/h10-11H,2-8H2,1H3.
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide?
N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]ethanesulfonamide is sourced from PubChem (CID 64724784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).