[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine

C7H16N2S — CID 137447232

IUPAC[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine
SMILESCSC[C@@H]1C[C@@H](CN)CN1
InChIInChI=1S/C7H16N2S/c1-10-5-7-2-6(3-8)4-9-7/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyXQFTTXPWTGPJAM-BQBZGAKWSA-N
MW160.29 g/mol
LogP0.29
Rot. Bonds3

About [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine

[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 137447232) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID137447232
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine
SMILESCSC[C@@H]1C[C@@H](CN)CN1
InChIInChI=1S/C7H16N2S/c1-10-5-7-2-6(3-8)4-9-7/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyXQFTTXPWTGPJAM-BQBZGAKWSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine (CID 137447232) is [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine is CSC[C@@H]1C[C@@H](CN)CN1.
What is the InChIKey of [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XQFTTXPWTGPJAM-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-10-5-7-2-6(3-8)4-9-7/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1.
What are the key properties of [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine?
[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 160.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 137447232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).