3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol

C10H22N2OS — CID 106309461

IUPAC3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCC1CCCN1
InChIInChI=1S/C10H22N2OS/c13-6-2-7-14-8-5-11-9-10-3-1-4-12-10/h10-13H,1-9H2
InChIKeyKFJHNZAJJVKMAV-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.44
Rot. Bonds8

About 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol

3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106309461) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
PubChem CID106309461
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCC1CCCN1
InChIInChI=1S/C10H22N2OS/c13-6-2-7-14-8-5-11-9-10-3-1-4-12-10/h10-13H,1-9H2
InChIKeyKFJHNZAJJVKMAV-UHFFFAOYSA-N
XLogP0.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
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3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
CID 106425505
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106310371
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309489
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
3-[2-(azepan-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106309417
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol (CID 106309461) is 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol is OCCCSCCNCC1CCCN1.
What is the InChIKey of 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is KFJHNZAJJVKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c13-6-2-7-14-8-5-11-9-10-3-1-4-12-10/h10-13H,1-9H2.
What are the key properties of 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 218.37 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106309461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).