2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol

C10H21NOS — CID 64906137

IUPAC2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol
SMILESCCNC1CCC(SCCO)C1C
InChIInChI=1S/C10H21NOS/c1-3-11-9-4-5-10(8(9)2)13-7-6-12/h8-12H,3-7H2,1-2H3
InChIKeyUHZSXTSPBKYNRW-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol

2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol (PubChem CID 64906137) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol
PubChem CID64906137
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol
SMILESCCNC1CCC(SCCO)C1C
InChIInChI=1S/C10H21NOS/c1-3-11-9-4-5-10(8(9)2)13-7-6-12/h8-12H,3-7H2,1-2H3
InChIKeyUHZSXTSPBKYNRW-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol?
The IUPAC name of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol (CID 64906137) is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol.
What is the SMILES notation for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol?
The canonical SMILES for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol is CCNC1CCC(SCCO)C1C.
What is the InChIKey of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol?
The InChIKey is UHZSXTSPBKYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-11-9-4-5-10(8(9)2)13-7-6-12/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol?
2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfanylethanol is sourced from PubChem (CID 64906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).