4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine

C14H29NO3S — CID 116762936

IUPAC4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-4-19(16,17)12-8-9-13(15-2)14(18-3)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3
InChIKeyRSLLXWXTQZVRMR-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.14
Rot. Bonds8

About 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine

4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine (PubChem CID 116762936) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
PubChem CID116762936
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-4-19(16,17)12-8-9-13(15-2)14(18-3)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3
InChIKeyRSLLXWXTQZVRMR-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
[4-ethylsulfonyl-1-(1-methoxycyclopentyl)butyl]hydrazine
CID 105268624
1-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
CID 105275655
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116762900
1-(1-methoxycyclohexyl)-N,3-dimethylpentan-1-amine
CID 116762989
1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
CID 104807491
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
CID 116770145
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine (CID 116762936) is 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine is CCS(=O)(=O)CCCC(NC)C1(OC)CCCCC1.
What is the InChIKey of 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The InChIKey is RSLLXWXTQZVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-19(16,17)12-8-9-13(15-2)14(18-3)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).