N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide

C16H30N2O2S — CID 140853433

IUPACN-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide
SMILESCC(C)SCCCC(=O)NCCN1CC(C(C)C)CC1=O
InChIInChI=1S/C16H30N2O2S/c1-12(2)14-10-16(20)18(11-14)8-7-17-15(19)6-5-9-21-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyZEIVRHIFORGKKM-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide

N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide (PubChem CID 140853433) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide
PubChem CID140853433
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide
SMILESCC(C)SCCCC(=O)NCCN1CC(C(C)C)CC1=O
InChIInChI=1S/C16H30N2O2S/c1-12(2)14-10-16(20)18(11-14)8-7-17-15(19)6-5-9-21-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyZEIVRHIFORGKKM-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
1-[3-(2-methylpropylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511445
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
N-(3-methylbutyl)-3-[3-(7-methyloctylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 139318601
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506275
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
CID 106800567
N-[2-[3-(4-imino-5-methylhexyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pentanamide
CID 154988251
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid
CID 164802056
1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
CID 171546139

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide?
The IUPAC name of N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide (CID 140853433) is N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide.
What is the SMILES notation for N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide?
The canonical SMILES for N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide is CC(C)SCCCC(=O)NCCN1CC(C(C)C)CC1=O.
What is the InChIKey of N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide?
The InChIKey is ZEIVRHIFORGKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-12(2)14-10-16(20)18(11-14)8-7-17-15(19)6-5-9-21-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide?
N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide has a molecular weight of 314.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide is sourced from PubChem (CID 140853433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).