1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine

C11H23NOS — CID 64656891

IUPAC1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CS(=O)CC1CCCC1
InChIInChI=1S/C11H23NOS/c1-3-12-10(2)8-14(13)9-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyLNKQXBXBIZMUCB-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.92
Rot. Bonds6

About 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine

1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine (PubChem CID 64656891) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
PubChem CID64656891
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CS(=O)CC1CCCC1
InChIInChI=1S/C11H23NOS/c1-3-12-10(2)8-14(13)9-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyLNKQXBXBIZMUCB-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine (CID 64656891) is 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine is CCNC(C)CS(=O)CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine?
The InChIKey is LNKQXBXBIZMUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-12-10(2)8-14(13)9-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine?
1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 64656891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).