[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol

C12H25NOS — CID 79581045

IUPAC[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESCCC(C)SCCC1CCCC1(N)CO
InChIInChI=1S/C12H25NOS/c1-3-10(2)15-8-6-11-5-4-7-12(11,13)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyWHWZMICPELUALW-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.40
Rot. Bonds6

About [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol

[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol (PubChem CID 79581045) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
PubChem CID79581045
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESCCC(C)SCCC1CCCC1(N)CO
InChIInChI=1S/C12H25NOS/c1-3-10(2)15-8-6-11-5-4-7-12(11,13)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyWHWZMICPELUALW-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol?
The IUPAC name of [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol (CID 79581045) is [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol is CCC(C)SCCC1CCCC1(N)CO.
What is the InChIKey of [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol?
The InChIKey is WHWZMICPELUALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-10(2)15-8-6-11-5-4-7-12(11,13)9-14/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol?
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol has a molecular weight of 231.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol is sourced from PubChem (CID 79581045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).