(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine

C8H17NS — CID 170255509

IUPAC(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSCC(C)[C@@H]1CCNC1
InChIInChI=1S/C8H17NS/c1-7(6-10-2)8-3-4-9-5-8/h7-9H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyKYFBGNLEFDKDBS-BRFYHDHCSA-N
MW159.30 g/mol
LogP1.60
Rot. Bonds3

About (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine

(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine (PubChem CID 170255509) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine
PubChem CID170255509
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSCC(C)[C@@H]1CCNC1
InChIInChI=1S/C8H17NS/c1-7(6-10-2)8-3-4-9-5-8/h7-9H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyKYFBGNLEFDKDBS-BRFYHDHCSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine?
The IUPAC name of (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine (CID 170255509) is (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine.
What is the SMILES notation for (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine?
The canonical SMILES for (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine is CSCC(C)[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine?
The InChIKey is KYFBGNLEFDKDBS-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(6-10-2)8-3-4-9-5-8/h7-9H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine?
(3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylsulfanylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 170255509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).