5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one

C12H25NOS — CID 138547815

IUPAC5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)S(C)(C)CCC1CCC(=O)N1
InChIInChI=1S/C12H25NOS/c1-12(2,3)15(4,5)9-8-10-6-7-11(14)13-10/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyVDNSXXRXYLVJRV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.52
Rot. Bonds3

About 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one

5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one (PubChem CID 138547815) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one
PubChem CID138547815
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)S(C)(C)CCC1CCC(=O)N1
InChIInChI=1S/C12H25NOS/c1-12(2,3)15(4,5)9-8-10-6-7-11(14)13-10/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyVDNSXXRXYLVJRV-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
CID 171329412
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
5-pent-3-ynylpyrrolidin-2-one
CID 11217347
5-but-3-ynylpyrrolidin-2-one
CID 15531515
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
4-[(2R)-5-oxopyrrolidin-2-yl]butanal
CID 11423711
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
CID 11148606
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
2-(5-oxopyrrolidin-2-yl)ethyl formate
CID 174662613
5-(2,3-dimethylbutyl)pyrrolidin-2-one
CID 130635210
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 55286707

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one (CID 138547815) is 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one is CC(C)(C)S(C)(C)CCC1CCC(=O)N1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one?
The InChIKey is VDNSXXRXYLVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-12(2,3)15(4,5)9-8-10-6-7-11(14)13-10/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one?
5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one has a molecular weight of 231.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 138547815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).