(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine

C10H21NS — CID 102419936

IUPAC(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
SMILESCC(C)(C)SCC[C@@H]1CCCN1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHTVSGRNVUVYTTB-VIFPVBQESA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds3

About (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine

(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine (PubChem CID 102419936) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
PubChem CID102419936
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
SMILESCC(C)(C)SCC[C@@H]1CCCN1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHTVSGRNVUVYTTB-VIFPVBQESA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine
CID 102419933
ethane;(2R)-2-propylpyrrolidine
CID 155717204
ethane;2-propylpyrrolidine
CID 143349498
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-pyrrolidin-2-ylethanamine
CID 14030009
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine (CID 102419936) is (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine is CC(C)(C)SCC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine?
The InChIKey is HTVSGRNVUVYTTB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)12-8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine?
(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 102419936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).