N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine

C7H16N2S — CID 142009580

IUPACN-(pyrrolidin-1-ylmethylsulfanyl)ethanamine
SMILESCCNSCN1CCCC1
InChIInChI=1S/C7H16N2S/c1-2-8-10-7-9-5-3-4-6-9/h8H,2-7H2,1H3
InChIKeyPGKBQYSXFZNBGG-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.30
Rot. Bonds4

About N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine

N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine (PubChem CID 142009580) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(pyrrolidin-1-ylmethylsulfanyl)ethanamine
PubChem CID142009580
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-(pyrrolidin-1-ylmethylsulfanyl)ethanamine
SMILESCCNSCN1CCCC1
InChIInChI=1S/C7H16N2S/c1-2-8-10-7-9-5-3-4-6-9/h8H,2-7H2,1H3
InChIKeyPGKBQYSXFZNBGG-UHFFFAOYSA-N
XLogP1.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-diethyl-1,6-diazecane
CID 172611513
1-(tert-butylsulfanylmethyl)pyrrolidine
CID 118259816
S-(pyrrolidin-1-ylmethyl)thiohydroxylamine
CID 23354513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
methanol;1-propylpiperidine
CID 171515121
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine?
The IUPAC name of N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine (CID 142009580) is N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine?
The canonical SMILES for N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine is CCNSCN1CCCC1.
What is the InChIKey of N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine?
The InChIKey is PGKBQYSXFZNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-2-8-10-7-9-5-3-4-6-9/h8H,2-7H2,1H3.
What are the key properties of N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine?
N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine has a molecular weight of 160.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 142009580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).