1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one

C15H26N2OS2 — CID 131890199

IUPAC1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC(CNC2CSCCSC2)CN1C1CCCC1
InChIInChI=1S/C15H26N2OS2/c18-15-7-12(9-17(15)14-3-1-2-4-14)8-16-13-10-19-5-6-20-11-13/h12-14,16H,1-11H2
InChIKeyHQRIBWTVFJEJDV-UHFFFAOYSA-N
MW314.52 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one

1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one (PubChem CID 131890199) has the molecular formula C15H26N2OS2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one
PubChem CID131890199
Molecular FormulaC15H26N2OS2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC Name1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC(CNC2CSCCSC2)CN1C1CCCC1
InChIInChI=1S/C15H26N2OS2/c18-15-7-12(9-17(15)14-3-1-2-4-14)8-16-13-10-19-5-6-20-11-13/h12-14,16H,1-11H2
InChIKeyHQRIBWTVFJEJDV-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95201095
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95226513
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 131935678
1-cyclopentyl-4-[[(5-propyl-1,2,4-oxadiazol-3-yl)amino]methyl]pyrrolidin-2-one
CID 131912347
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 131900553
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one (CID 131890199) is 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one is O=C1CC(CNC2CSCCSC2)CN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is HQRIBWTVFJEJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS2/c18-15-7-12(9-17(15)14-3-1-2-4-14)8-16-13-10-19-5-6-20-11-13/h12-14,16H,1-11H2.
What are the key properties of 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 314.52 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 131890199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).