2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C9H20N2S — CID 106639319

IUPAC2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCSC(C)CNCC1CCCN1
InChIInChI=1S/C9H20N2S/c1-8(12-2)6-10-7-9-4-3-5-11-9/h8-11H,3-7H2,1-2H3
InChIKeyZGURSKOBCNTHGD-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.08
Rot. Bonds5

About 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106639319) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106639319
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCSC(C)CNCC1CCCN1
InChIInChI=1S/C9H20N2S/c1-8(12-2)6-10-7-9-4-3-5-11-9/h8-11H,3-7H2,1-2H3
InChIKeyZGURSKOBCNTHGD-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
CID 107151421
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106638352
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106639319) is 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CSC(C)CNCC1CCCN1.
What is the InChIKey of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is ZGURSKOBCNTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(12-2)6-10-7-9-4-3-5-11-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106639319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).