1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine

C10H22N2S — CID 66217435

IUPAC1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine
SMILESCC(N)CSCCCC1CCCN1
InChIInChI=1S/C10H22N2S/c1-9(11)8-13-7-3-5-10-4-2-6-12-10/h9-10,12H,2-8,11H2,1H3
InChIKeyKGZYILLNWFGAFX-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.60
Rot. Bonds6

About 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine

1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine (PubChem CID 66217435) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine
PubChem CID66217435
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine
SMILESCC(N)CSCCCC1CCCN1
InChIInChI=1S/C10H22N2S/c1-9(11)8-13-7-3-5-10-4-2-6-12-10/h9-10,12H,2-8,11H2,1H3
InChIKeyKGZYILLNWFGAFX-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
1-(2-piperidin-2-ylethylsulfanyl)butan-2-amine
CID 66230051
methyl 2-(3-pyrrolidin-2-ylpropylsulfanyl)acetate
CID 62478907
(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
CID 134397939
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
(2S)-2-hexylpyrrolidine
CID 7047826
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-(butylsulfanylmethyl)pyrrolidine
CID 102820326
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
2-pyrrolidin-2-ylethanamine
CID 14030009
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine (CID 66217435) is 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine is CC(N)CSCCCC1CCCN1.
What is the InChIKey of 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine?
The InChIKey is KGZYILLNWFGAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(11)8-13-7-3-5-10-4-2-6-12-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine?
1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 66217435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).