1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol

C12H24N2OS — CID 106427604

IUPAC1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=CCSCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H24N2OS/c1-2-8-16-9-5-13-10-12(15)11-14-6-3-4-7-14/h2,12-13,15H,1,3-11H2
InChIKeyWFJZHUNEUNWSBR-UHFFFAOYSA-N
MW244.40 g/mol
LogP0.95
Rot. Bonds9

About 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 106427604) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID106427604
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=CCSCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H24N2OS/c1-2-8-16-9-5-13-10-12(15)11-14-6-3-4-7-14/h2,12-13,15H,1,3-11H2
InChIKeyWFJZHUNEUNWSBR-UHFFFAOYSA-N
XLogP0.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106221253
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427994
1-butoxy-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427537
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 112685123

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 106427604) is 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol is C=CCSCCNCC(O)CN1CCCC1.
What is the InChIKey of 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is WFJZHUNEUNWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-8-16-9-5-13-10-12(15)11-14-6-3-4-7-14/h2,12-13,15H,1,3-11H2.
What are the key properties of 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 244.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 106427604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).