1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine

C7H16N2OS — CID 123989889

IUPAC1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine
SMILESCS(N)(=O)=CCN1CCCC1
InChIInChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H2,8,10)
InChIKeyTURRCSWZAZFFOM-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.33
Rot. Bonds2

About 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine

1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine (PubChem CID 123989889) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine
PubChem CID123989889
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine
SMILESCS(N)(=O)=CCN1CCCC1
InChIInChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H2,8,10)
InChIKeyTURRCSWZAZFFOM-UHFFFAOYSA-N
XLogP-0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
CID 168863072
1-(2-sulfinylethyl)pyrrolidine
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3-pyrrolidin-1-ylprop-1-en-1-one
CID 57238888
1-(2-sulfonylethyl)piperidine
CID 151556263
ethane;piperidin-1-ylmethanamine
CID 166079141
1-prop-2-enylpiperidine;urea
CID 66978518
4-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-amine
CID 77110546
1-prop-2-enyl(213C)azinane
CID 173137320
1-(pyrrolidin-1-ylmethyl)cyclopropane-1-sulfonamide;hydrochloride
CID 138986734
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
1-(2-ethylsulfonylethyl)azocane
CID 167779827
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
CID 120858030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine (CID 123989889) is 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine is CS(N)(=O)=CCN1CCCC1.
What is the InChIKey of 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine?
The InChIKey is TURRCSWZAZFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H2,8,10).
What are the key properties of 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine?
1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine has a molecular weight of 176.28 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine is sourced from PubChem (CID 123989889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).