(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine

C16H27NS — CID 102419933

IUPAC(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine
SMILESC1CN[C@H](CCSC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27NS/c1-2-15(17-4-1)3-5-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15,17H,1-11H2/t12?,13?,14?,15-,16?/m0/s1
InChIKeyIOJTUYLGISUQQS-DQGBIZLVSA-N
MW265.47 g/mol
LogP3.83
Rot. Bonds4

About (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine

(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine (PubChem CID 102419933) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine
PubChem CID102419933
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine
SMILESC1CN[C@H](CCSC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27NS/c1-2-15(17-4-1)3-5-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15,17H,1-11H2/t12?,13?,14?,15-,16?/m0/s1
InChIKeyIOJTUYLGISUQQS-DQGBIZLVSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[2-(1-adamantylsulfanyl)ethyl]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
(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
CID 102419936
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-pyrrolidin-2-ylethanamine
CID 14030009
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
pyrrolidin-2-ylmethanethiol
CID 15793333
ethane;(2R)-2-propylpyrrolidine
CID 155717204
ethane;2-propylpyrrolidine
CID 143349498
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine?
The IUPAC name of (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine (CID 102419933) is (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine is C1CN[C@H](CCSC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine?
The InChIKey is IOJTUYLGISUQQS-DQGBIZLVSA-N. The full InChI is InChI=1S/C16H27NS/c1-2-15(17-4-1)3-5-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15,17H,1-11H2/t12?,13?,14?,15-,16?/m0/s1.
What are the key properties of (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine?
(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine has a molecular weight of 265.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine is sourced from PubChem (CID 102419933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).