1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine

C12H25NO2S2 — CID 65138550

IUPAC1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CSC1CCCC1
InChIInChI=1S/C12H25NO2S2/c1-2-17(14,15)9-5-6-11(13)10-16-12-7-3-4-8-12/h11-12H,2-10,13H2,1H3
InChIKeyOEZZGLVBQRIRPR-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.20
Rot. Bonds8

About 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine

1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine (PubChem CID 65138550) has the molecular formula C12H25NO2S2 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
PubChem CID65138550
Molecular FormulaC12H25NO2S2
Molecular Weight279.47 g/mol
Exact Mass279.13
IUPAC Name1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CSC1CCCC1
InChIInChI=1S/C12H25NO2S2/c1-2-17(14,15)9-5-6-11(13)10-16-12-7-3-4-8-12/h11-12H,2-10,13H2,1H3
InChIKeyOEZZGLVBQRIRPR-UHFFFAOYSA-N
XLogP2.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152632
5-ethylsulfonyl-1-(oxolan-3-yl)pentan-2-amine
CID 103986638
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-cyclopentylsulfanyl-3-methylhexan-2-amine
CID 107896535
5-(cyclopentylmethylsulfonyl)pentan-2-amine
CID 64676281
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
CID 79574880

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine (CID 65138550) is 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine is CCS(=O)(=O)CCCC(N)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine?
The InChIKey is OEZZGLVBQRIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S2/c1-2-17(14,15)9-5-6-11(13)10-16-12-7-3-4-8-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine?
1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine is sourced from PubChem (CID 65138550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).