N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide

C14H26N2O2S — CID 134356512

IUPACN-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
SMILESCSCC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-19-10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h11-12H,2-10,15H2,1H3,(H,16,18)
InChIKeyDLJCQQQOMXMRKB-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.72
Rot. Bonds9

About N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide

N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide (PubChem CID 134356512) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
PubChem CID134356512
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
SMILESCSCC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-19-10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h11-12H,2-10,15H2,1H3,(H,16,18)
InChIKeyDLJCQQQOMXMRKB-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxotetrahydrothiophen-3-yl)cyclohexanecarboxamide
CID 3148029
(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 7021818
2-methyl-N-(2-oxotetrahydrothiophen-3-yl)pentanamide
CID 2904782
N-[(2R)-1-(methylamino)-3-methylsulfanyl-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 145989285
N-[7-amino-1-[dimethyl(oxo)-lambda6-sulfanylidene]-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 141698680
L-leucyl-L-methioninamide cation
CID 7021817
N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
CID 134356445
N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134356760
(2S)-2-acetamido-4-methyl-N-[(4S)-2-methyl-8-methylsulfanyl-5,6-dioxooctan-4-yl]pentanamide
CID 18666795
(2S)-2-acetamido-N-[(3S)-1-fluoro-5-methylsulfanyl-2-oxopentan-3-yl]-4-methylpentanamide
CID 9948989
2-amino-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 12952801
HDLeu-MetNH2
CID 12952804

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide (CID 134356512) is N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide is CSCC(=O)C(CCCCN)NC(=O)C1CCCC1.
What is the InChIKey of N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The InChIKey is DLJCQQQOMXMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-19-10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h11-12H,2-10,15H2,1H3,(H,16,18).
What are the key properties of N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 134356512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).