2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol

C12H26N2OS — CID 146382592

IUPAC2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol
SMILESCSC(C)N1CCC(CN(C)C(C)CO)C1
InChIInChI=1S/C12H26N2OS/c1-10(9-15)13(3)7-12-5-6-14(8-12)11(2)16-4/h10-12,15H,5-9H2,1-4H3
InChIKeyOHJHMDQNUYHRSC-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.33
Rot. Bonds6

About 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol

2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol (PubChem CID 146382592) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol
PubChem CID146382592
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol
SMILESCSC(C)N1CCC(CN(C)C(C)CO)C1
InChIInChI=1S/C12H26N2OS/c1-10(9-15)13(3)7-12-5-6-14(8-12)11(2)16-4/h10-12,15H,5-9H2,1-4H3
InChIKeyOHJHMDQNUYHRSC-UHFFFAOYSA-N
XLogP1.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol (CID 146382592) is 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol is CSC(C)N1CCC(CN(C)C(C)CO)C1.
What is the InChIKey of 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol?
The InChIKey is OHJHMDQNUYHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(9-15)13(3)7-12-5-6-14(8-12)11(2)16-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol?
2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol has a molecular weight of 246.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 146382592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).