(4S)-3-methyl-4-thiophen-3-ylpyrrolidine

C9H13NS — CID 142082673

IUPAC(4S)-3-methyl-4-thiophen-3-ylpyrrolidine
SMILESCC1CNC[C@@H]1c1ccsc1
InChIInChI=1S/C9H13NS/c1-7-4-10-5-9(7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7?,9-/m0/s1
InChIKeySRVMUTXDANHVQO-NETXQHHPSA-N
MW167.28 g/mol
LogP2.07
Rot. Bonds1

About (4S)-3-methyl-4-thiophen-3-ylpyrrolidine

(4S)-3-methyl-4-thiophen-3-ylpyrrolidine (PubChem CID 142082673) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4S)-3-methyl-4-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name(4S)-3-methyl-4-thiophen-3-ylpyrrolidine
PubChem CID142082673
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4S)-3-methyl-4-thiophen-3-ylpyrrolidine
SMILESCC1CNC[C@@H]1c1ccsc1
InChIInChI=1S/C9H13NS/c1-7-4-10-5-9(7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7?,9-/m0/s1
InChIKeySRVMUTXDANHVQO-NETXQHHPSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-thiophen-3-ylpyrrolidine?
The IUPAC name of (4S)-3-methyl-4-thiophen-3-ylpyrrolidine (CID 142082673) is (4S)-3-methyl-4-thiophen-3-ylpyrrolidine.
What is the SMILES notation for (4S)-3-methyl-4-thiophen-3-ylpyrrolidine?
The canonical SMILES for (4S)-3-methyl-4-thiophen-3-ylpyrrolidine is CC1CNC[C@@H]1c1ccsc1.
What is the InChIKey of (4S)-3-methyl-4-thiophen-3-ylpyrrolidine?
The InChIKey is SRVMUTXDANHVQO-NETXQHHPSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-4-10-5-9(7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7?,9-/m0/s1.
What are the key properties of (4S)-3-methyl-4-thiophen-3-ylpyrrolidine?
(4S)-3-methyl-4-thiophen-3-ylpyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 142082673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).