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

C14H26N2O4S — CID 134356445

IUPACN-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
SMILESCS(=O)(=O)CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)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)
InChIKeyYXCZQVAOQZVZCT-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.40
Rot. Bonds9

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

N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide (PubChem CID 134356445) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
PubChem CID134356445
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
SMILESCS(=O)(=O)CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)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)
InChIKeyYXCZQVAOQZVZCT-UHFFFAOYSA-N
XLogP0.40
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide (CID 134356445) is N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide is CS(=O)(=O)CC(=O)C(CCCCN)NC(=O)C1CCCC1.
What is the InChIKey of N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
The InChIKey is YXCZQVAOQZVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-21(19,20)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-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide?
N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 134356445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).