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

C14H29NO3S — CID 116761963

IUPAC1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NC)CCCC1
InChIInChI=1S/C14H29NO3S/c1-4-18-14(10-6-7-11-14)13(15-3)9-8-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyCBXPYEFPDQZANY-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.14
Rot. Bonds9

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

1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine (PubChem CID 116761963) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
PubChem CID116761963
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCOC1(C(CCCS(=O)(=O)CC)NC)CCCC1
InChIInChI=1S/C14H29NO3S/c1-4-18-14(10-6-7-11-14)13(15-3)9-8-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyCBXPYEFPDQZANY-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-ethylsulfonylbutyl]hydrazine
CID 105275655
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
CID 105277264
[4-ethylsulfonyl-1-(1-methoxycyclopentyl)butyl]hydrazine
CID 105268624
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 116765860

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine (CID 116761963) is 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine is CCOC1(C(CCCS(=O)(=O)CC)NC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
The InChIKey is CBXPYEFPDQZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-18-14(10-6-7-11-14)13(15-3)9-8-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine?
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine is sourced from PubChem (CID 116761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).