(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol

C10H19NOS — CID 130802830

IUPAC(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol
SMILESC=C(CS)CN1C[C@H](C)C[C@H](O)C1
InChIInChI=1S/C10H19NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8,10,12-13H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyBVXRKDJRWCKSOY-SCZZXKLOSA-N
MW201.33 g/mol
LogP1.18
Rot. Bonds3

About (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol

(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol (PubChem CID 130802830) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol
PubChem CID130802830
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol
SMILESC=C(CS)CN1C[C@H](C)C[C@H](O)C1
InChIInChI=1S/C10H19NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8,10,12-13H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyBVXRKDJRWCKSOY-SCZZXKLOSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
CID 130802828
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
CID 130941612
2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
CID 130826332
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)prop-2-ene-1-thiol
CID 103073490
2-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]prop-2-ene-1-thiol
CID 130909021
1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol?
The IUPAC name of (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol (CID 130802830) is (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol?
The canonical SMILES for (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol is C=C(CS)CN1C[C@H](C)C[C@H](O)C1.
What is the InChIKey of (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol?
The InChIKey is BVXRKDJRWCKSOY-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8,10,12-13H,2-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol?
(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol is sourced from PubChem (CID 130802830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).