1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine

C11H23NO3S — CID 104610727

IUPAC1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
SMILESCOC1(C(N)CCCS(C)(=O)=O)CCCC1
InChIInChI=1S/C11H23NO3S/c1-15-11(7-3-4-8-11)10(12)6-5-9-16(2,13)14/h10H,3-9,12H2,1-2H3
InChIKeyMUPZVTBSNPRGLQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.10
Rot. Bonds6

About 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine

1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine (PubChem CID 104610727) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
PubChem CID104610727
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
SMILESCOC1(C(N)CCCS(C)(=O)=O)CCCC1
InChIInChI=1S/C11H23NO3S/c1-15-11(7-3-4-8-11)10(12)6-5-9-16(2,13)14/h10H,3-9,12H2,1-2H3
InChIKeyMUPZVTBSNPRGLQ-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
CID 116764422
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-amine
CID 116769078
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
[4-ethylsulfonyl-1-(1-methoxycyclopentyl)butyl]hydrazine
CID 105268624
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105277043
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine (CID 104610727) is 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine is COC1(C(N)CCCS(C)(=O)=O)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is MUPZVTBSNPRGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-15-11(7-3-4-8-11)10(12)6-5-9-16(2,13)14/h10H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine?
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 104610727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).