N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide

C15H28N2O2S — CID 142307561

IUPACN-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCS(C)=CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C15H28N2O2S/c1-20(2)11-14(18)13(9-5-6-10-16)17-15(19)12-7-3-4-8-12/h11-13H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyBKYJCHWRQKYWLI-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.69
Rot. Bonds8

About N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide

N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide (PubChem CID 142307561) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
PubChem CID142307561
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCS(C)=CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C15H28N2O2S/c1-20(2)11-14(18)13(9-5-6-10-16)17-15(19)12-7-3-4-8-12/h11-13H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyBKYJCHWRQKYWLI-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
N-[(3S)-1,7-diamino-2-oxo-1-sulfanylideneheptan-3-yl]cyclopentanecarboxamide
CID 121280070
N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
CID 121266148
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134347937
N-[7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 157151077
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 158713063
methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
CID 166727828
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-[(3S)-1-(2-methanethioylhydrazinyl)-1,2-dioxoheptan-3-yl]cyclohexanecarboxamide
CID 142188982
N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134347880
(2S)-2-(cyclohexanecarbonylamino)-6-(dodecanoylamino)hexanoic acid
CID 101218387

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide (CID 142307561) is N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide is CS(C)=CC(=O)C(CCCCN)NC(=O)C1CCCC1.
What is the InChIKey of N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The InChIKey is BKYJCHWRQKYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-20(2)11-14(18)13(9-5-6-10-16)17-15(19)12-7-3-4-8-12/h11-13H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide has a molecular weight of 300.47 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 142307561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).