1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine

C10H19NS — CID 169242079

IUPAC1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCN(CC2CC2)C1
InChIInChI=1S/C10H19NS/c1-12-8-10-4-5-11(7-10)6-9-2-3-9/h9-10H,2-8H2,1H3
InChIKeyDTUCEMDEZPCJSX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine

1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine (PubChem CID 169242079) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine
PubChem CID169242079
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCN(CC2CC2)C1
InChIInChI=1S/C10H19NS/c1-12-8-10-4-5-11(7-10)6-9-2-3-9/h9-10H,2-8H2,1H3
InChIKeyDTUCEMDEZPCJSX-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
1-methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
(3S,4S)-1-(cyclopropylmethyl)-3-iodo-4-methylpiperidine
CID 138739781

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine (CID 169242079) is 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine is CSCC1CCN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is DTUCEMDEZPCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-8-10-4-5-11(7-10)6-9-2-3-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine?
1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 169242079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).