1-(2-tert-butylsulfanylethyl)pyrrolidine

C10H21NS — CID 89338608

IUPAC1-(2-tert-butylsulfanylethyl)pyrrolidine
SMILESCC(C)(C)SCCN1CCCC1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-8-11-6-4-5-7-11/h4-9H2,1-3H3
InChIKeyKYXBAJVPNPGSTI-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About 1-(2-tert-butylsulfanylethyl)pyrrolidine

1-(2-tert-butylsulfanylethyl)pyrrolidine (PubChem CID 89338608) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethyl)pyrrolidine
PubChem CID89338608
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(2-tert-butylsulfanylethyl)pyrrolidine
SMILESCC(C)(C)SCCN1CCCC1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-8-11-6-4-5-7-11/h4-9H2,1-3H3
InChIKeyKYXBAJVPNPGSTI-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylethyl)pyrrolidine?
The IUPAC name of 1-(2-tert-butylsulfanylethyl)pyrrolidine (CID 89338608) is 1-(2-tert-butylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-tert-butylsulfanylethyl)pyrrolidine?
The canonical SMILES for 1-(2-tert-butylsulfanylethyl)pyrrolidine is CC(C)(C)SCCN1CCCC1.
What is the InChIKey of 1-(2-tert-butylsulfanylethyl)pyrrolidine?
The InChIKey is KYXBAJVPNPGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)12-9-8-11-6-4-5-7-11/h4-9H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfanylethyl)pyrrolidine?
1-(2-tert-butylsulfanylethyl)pyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 89338608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).