1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one

C16H24N2OS — CID 45219735

IUPAC1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2)CN1C1CCCCCC1
InChIInChI=1S/C16H24N2OS/c19-16-9-14(17-10-13-7-8-20-12-13)11-18(16)15-5-3-1-2-4-6-15/h7-8,12,14-15,17H,1-6,9-11H2
InChIKeyGOAZSHNQNDTNLF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.16
Rot. Bonds4

About 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one

1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 45219735) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
PubChem CID45219735
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2)CN1C1CCCCCC1
InChIInChI=1S/C16H24N2OS/c19-16-9-14(17-10-13-7-8-20-12-13)11-18(16)15-5-3-1-2-4-6-15/h7-8,12,14-15,17H,1-6,9-11H2
InChIKeyGOAZSHNQNDTNLF-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45175983
N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 42193726
1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
CID 45213710
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
CID 63248071
1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide
CID 136515736
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]azepan-2-one
CID 134795587
trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
CID 99636903

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one (CID 45219735) is 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccsc2)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is GOAZSHNQNDTNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16-9-14(17-10-13-7-8-20-12-13)11-18(16)15-5-3-1-2-4-6-15/h7-8,12,14-15,17H,1-6,9-11H2.
What are the key properties of 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 292.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 45219735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).