1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide

C11H23NO3S — CID 75419185

IUPAC1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-15-9-5-8-12-16(13,14)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyAHDNJSPDSTVEIR-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.52
Rot. Bonds7

About 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide

1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide (PubChem CID 75419185) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide
PubChem CID75419185
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-15-9-5-8-12-16(13,14)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyAHDNJSPDSTVEIR-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758
N-(2-hydroxyethyl)-2-methylcyclohexane-1-sulfonamide;hydrofluoride
CID 70218510
N-butyl-1-cyclohexylmethanesulfonamide
CID 91351204
N-ethyl-4-methylcyclohexane-1-sulfonamide
CID 140430217
3-Aminopropyl 3-ethynylcyclohexane-1-sulfonate
CID 174488967
3-Aminopropyl 2-methylcyclohexane-1-sulfonate
CID 174503229
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702139
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178702140
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702201
2-methoxy-N-(4-methylcyclohexyl)ethanesulfonamide
CID 178702295
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178762318
N-(2-amino-1-cyclohexylethyl)-2-methoxyethanesulfonamide
CID 55009587

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide (CID 75419185) is 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide is COCCCNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is AHDNJSPDSTVEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-15-9-5-8-12-16(13,14)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide?
1-cyclohexyl-N-(3-methoxypropyl)methanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.52, 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-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 75419185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).