1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine

C6H14N2S2 — CID 153223545

IUPAC1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(SS)C1
InChIInChI=1S/C6H14N2S2/c1-7(2)6-3-4-8(5-6)10-9/h6,9H,3-5H2,1-2H3
InChIKeyWODMFPRCRYTOEU-UHFFFAOYSA-N
MW178.33 g/mol
LogP1.12
Rot. Bonds2

About 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine

1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 153223545) has the molecular formula C6H14N2S2 and a molecular weight of 178.33 g/mol. Its IUPAC name is 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID153223545
Molecular FormulaC6H14N2S2
Molecular Weight178.33 g/mol
Exact Mass178.06
IUPAC Name1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(SS)C1
InChIInChI=1S/C6H14N2S2/c1-7(2)6-3-4-8(5-6)10-9/h6,9H,3-5H2,1-2H3
InChIKeyWODMFPRCRYTOEU-UHFFFAOYSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine (CID 153223545) is 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(SS)C1.
What is the InChIKey of 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WODMFPRCRYTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S2/c1-7(2)6-3-4-8(5-6)10-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine?
1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 178.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 153223545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).