ethane;3-methyl-1-methylsulfanylpyrrolidine

C8H19NS — CID 144625011

IUPACethane;3-methyl-1-methylsulfanylpyrrolidine
SMILESCC.CSN1CCC(C)C1
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-4-7(5-6)8-2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGDZURCHSUNBVMX-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.63
Rot. Bonds1

About ethane;3-methyl-1-methylsulfanylpyrrolidine

ethane;3-methyl-1-methylsulfanylpyrrolidine (PubChem CID 144625011) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is ethane;3-methyl-1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-1-methylsulfanylpyrrolidine
PubChem CID144625011
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nameethane;3-methyl-1-methylsulfanylpyrrolidine
SMILESCC.CSN1CCC(C)C1
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-4-7(5-6)8-2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGDZURCHSUNBVMX-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butylsulfanylpyrrolidine
CID 145103252
2-(Pyrrolidin-1-ylmethyl)butane-1-thiol
CID 23362375
3-Methyl-4-pyrrolidin-1-ylbutane-1-thiol
CID 23362526
2-Methyl-4-pyrrolidin-1-ylbutane-1-thiol
CID 23362535
(3S)-3-methyl-1-methylsulfanylpyrrolidine
CID 57745726
Methylidene-(2-methylpropyl)-pyrrolidin-1-yl-lambda4-sulfane
CID 58814888
N-(2-methylpropyl)-N-methylsulfanylbutan-1-amine
CID 87689697
3-Methyl-1-sulfanylpyrrolidine
CID 88583357
(3R)-3-methyl-1-sulfanylpyrrolidine
CID 89170983
(3S)-3-methyl-1-sulfanylpyrrolidine
CID 90265274
3-Methyl-1-methylsulfanylpyrrolidine
CID 129045452
1-Methylsulfanyl-3-propan-2-ylpyrrolidine
CID 134442971

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-methylsulfanylpyrrolidine?
The IUPAC name of ethane;3-methyl-1-methylsulfanylpyrrolidine (CID 144625011) is ethane;3-methyl-1-methylsulfanylpyrrolidine.
What is the SMILES notation for ethane;3-methyl-1-methylsulfanylpyrrolidine?
The canonical SMILES for ethane;3-methyl-1-methylsulfanylpyrrolidine is CC.CSN1CCC(C)C1.
What is the InChIKey of ethane;3-methyl-1-methylsulfanylpyrrolidine?
The InChIKey is GDZURCHSUNBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-6-3-4-7(5-6)8-2;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-methylsulfanylpyrrolidine?
ethane;3-methyl-1-methylsulfanylpyrrolidine has a molecular weight of 161.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-methylsulfanylpyrrolidine is sourced from PubChem (CID 144625011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).