(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol

C11H23NOS — CID 99790151

IUPAC(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
SMILESC[C@H](CO)SCCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyFCUYLBRVZWVLBU-LLVKDONJSA-N
MW217.38 g/mol
LogP1.98
Rot. Bonds6

About (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol

(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol (PubChem CID 99790151) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
PubChem CID99790151
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
SMILESC[C@H](CO)SCCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyFCUYLBRVZWVLBU-LLVKDONJSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
4-(2,2-Dimethylthiomorpholin-4-yl)butan-2-ol
CID 104319282
3-(2,2-Dimethylthiomorpholin-4-yl)propan-1-ol
CID 115683609
N-(2-hydroxyethyl)-2,6-dimethylthio-morpholine
CID 64119799
2,2-Dimethyl-3-thiomorpholin-4-ylpropan-1-ol
CID 20269403
4-Thiomorpholinebutanol
CID 43509607
5-Thiomorpholin-4-ylpentan-1-ol
CID 53774541
1-(2-Hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol
CID 54033445
(4-Butylthiomorpholin-2-yl)methanol
CID 54444181
4-Pentylthiomorpholin-3-ol
CID 57071520
6-Thiomorpholin-4-ylhexan-1-ol
CID 57458983
1-Thiomorpholin-4-ylbutan-2-ol
CID 58988039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The IUPAC name of (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol (CID 99790151) is (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The canonical SMILES for (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol is C[C@H](CO)SCCCN1CCCCC1.
What is the InChIKey of (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The InChIKey is FCUYLBRVZWVLBU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
(2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol is sourced from PubChem (CID 99790151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).