1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine

C9H16N2S — CID 123408001

IUPAC1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine
SMILES[H]/N=C(\C)CSC(=C)C1CCCN1
InChIInChI=1S/C9H16N2S/c1-7(10)6-12-8(2)9-4-3-5-11-9/h9-11H,2-6H2,1H3/b10-7+
InChIKeySCFKBPUFZMVHQY-JXMROGBWSA-N
MW184.31 g/mol
LogP2.02
Rot. Bonds4

About 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine

1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine (PubChem CID 123408001) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine.

Molecular Properties

Compound Name1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine
PubChem CID123408001
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine
SMILES[H]/N=C(\C)CSC(=C)C1CCCN1
InChIInChI=1S/C9H16N2S/c1-7(10)6-12-8(2)9-4-3-5-11-9/h9-11H,2-6H2,1H3/b10-7+
InChIKeySCFKBPUFZMVHQY-JXMROGBWSA-N
XLogP2.02
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(2S)-2-prop-1-en-2-ylpyrrolidine
CID 142069631
methyl (Z)-3-amino-2-pyrrolidin-2-ylprop-2-enimidate
CID 142358213
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
[2-(acetylsulfanylmethyl)-3-methylsulfanylpropanoyl] (2S)-pyrrolidine-2-carboxylate
CID 88779093
2-methyl-1-[(2S)-piperidin-2-yl]prop-2-en-1-one
CID 165468082
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254
2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 130366910
N-methyl-2-piperidin-2-ylprop-2-en-1-amine
CID 117266349
ethane;2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 155692364
2-piperidin-2-ylprop-2-en-1-amine
CID 117266347
nitroxyl;(2S)-pyrrolidine-2-carboxylic acid
CID 145376752

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine?
The IUPAC name of 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine (CID 123408001) is 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine.
What is the SMILES notation for 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine?
The canonical SMILES for 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine is [H]/N=C(\C)CSC(=C)C1CCCN1.
What is the InChIKey of 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine?
The InChIKey is SCFKBPUFZMVHQY-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(10)6-12-8(2)9-4-3-5-11-9/h9-11H,2-6H2,1H3/b10-7+.
What are the key properties of 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine?
1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine has a molecular weight of 184.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine is sourced from PubChem (CID 123408001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).