N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine

C9H20N2O2S2 — CID 82759935

IUPACN-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-11(4-5-15(3,12)13)8-6-10-7-9(8)14-2/h8-10H,4-7H2,1-3H3
InChIKeyYBFLYKUIZAGZPY-UHFFFAOYSA-N
MW252.40 g/mol
LogP-0.33
Rot. Bonds5

About N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine

N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine (PubChem CID 82759935) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine
PubChem CID82759935
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC NameN-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-11(4-5-15(3,12)13)8-6-10-7-9(8)14-2/h8-10H,4-7H2,1-3H3
InChIKeyYBFLYKUIZAGZPY-UHFFFAOYSA-N
XLogP-0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine (CID 82759935) is N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine is CSC1CNCC1N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The InChIKey is YBFLYKUIZAGZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-11(4-5-15(3,12)13)8-6-10-7-9(8)14-2/h8-10H,4-7H2,1-3H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine?
N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine has a molecular weight of 252.40 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-(2-methylsulfonylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82759935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).