2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine

C16H31NO2S — CID 64676103

IUPAC2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H31NO2S/c1-2-17-15-11-5-3-4-6-12-16(15)20(18,19)13-14-9-7-8-10-14/h14-17H,2-13H2,1H3
InChIKeyZUNMDOINPIYNRV-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.29
Rot. Bonds5

About 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine

2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine (PubChem CID 64676103) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
PubChem CID64676103
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H31NO2S/c1-2-17-15-11-5-3-4-6-12-16(15)20(18,19)13-14-9-7-8-10-14/h14-17H,2-13H2,1H3
InChIKeyZUNMDOINPIYNRV-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
CID 64675912
2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide
CID 114232833
tert-butyl 2-[2-(ethylamino)cycloheptyl]sulfonylacetate
CID 116687573
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylcycloheptan-1-amine
CID 114792007
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
CID 116687629
2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
CID 64674406
2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine
CID 64903882
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine (CID 64676103) is 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine is CCNC1CCCCCCC1S(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine?
The InChIKey is ZUNMDOINPIYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-2-17-15-11-5-3-4-6-12-16(15)20(18,19)13-14-9-7-8-10-14/h14-17H,2-13H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine?
2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine is sourced from PubChem (CID 64676103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).