1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol

C12H25NOS — CID 103158869

IUPAC1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESCC(C)(N)CSCC(O)CC1CCCC1
InChIInChI=1S/C12H25NOS/c1-12(2,13)9-15-8-11(14)7-10-5-3-4-6-10/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQDNIIKWBJNRROA-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.40
Rot. Bonds6

About 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol

1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol (PubChem CID 103158869) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol
PubChem CID103158869
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESCC(C)(N)CSCC(O)CC1CCCC1
InChIInChI=1S/C12H25NOS/c1-12(2,13)9-15-8-11(14)7-10-5-3-4-6-10/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQDNIIKWBJNRROA-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-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol (CID 103158869) is 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol is CC(C)(N)CSCC(O)CC1CCCC1.
What is the InChIKey of 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol?
The InChIKey is QDNIIKWBJNRROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-12(2,13)9-15-8-11(14)7-10-5-3-4-6-10/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol?
1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol 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-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).