1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine

C12H26N2S — CID 138509343

IUPAC1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCCCSC1C(CN(C)C)CCN1C
InChIInChI=1S/C12H26N2S/c1-5-6-9-15-12-11(10-13(2)3)7-8-14(12)4/h11-12H,5-10H2,1-4H3
InChIKeySWFFKMQLDWUZQW-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.36
Rot. Bonds6

About 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine

1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 138509343) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID138509343
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCCCSC1C(CN(C)C)CCN1C
InChIInChI=1S/C12H26N2S/c1-5-6-9-15-12-11(10-13(2)3)7-8-14(12)4/h11-12H,5-10H2,1-4H3
InChIKeySWFFKMQLDWUZQW-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
1-Methyl-3-propylsulfanylpyrrolidine
CID 18722954
3-Butylsulfanyl-1-methylpyrrolidine
CID 18723137
N-[[4-[bis(methylsulfanyl)methyl]-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723538
2,3,4-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 21644622
3-Butyl-2-methyl-1,3-thiazolidine
CID 57624331
3,4-Di(propan-2-yl)-1,3-thiazolidine
CID 58778672

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine (CID 138509343) is 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine is CCCCSC1C(CN(C)C)CCN1C.
What is the InChIKey of 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is SWFFKMQLDWUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-6-9-15-12-11(10-13(2)3)7-8-14(12)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 230.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylsulfanyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 138509343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).