N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide

C9H19NO3S — CID 58294905

IUPACN-(4-methoxycyclohexyl)-N-methylmethanesulfonamide
SMILESCOC1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10(14(3,11)12)8-4-6-9(13-2)7-5-8/h8-9H,4-7H2,1-3H3
InChIKeyQSSSVKQSOQCSLE-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds3

About N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide

N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide (PubChem CID 58294905) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-N-methylmethanesulfonamide
PubChem CID58294905
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(4-methoxycyclohexyl)-N-methylmethanesulfonamide
SMILESCOC1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10(14(3,11)12)8-4-6-9(13-2)7-5-8/h8-9H,4-7H2,1-3H3
InChIKeyQSSSVKQSOQCSLE-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide (CID 58294905) is N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide is COC1CCC(N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide?
The InChIKey is QSSSVKQSOQCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10(14(3,11)12)8-4-6-9(13-2)7-5-8/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide?
N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58294905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).