1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine

C13H27N3O3S — CID 115642411

IUPAC1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
SMILESCCCCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H27N3O3S/c1-2-3-4-5-8-13(17)16-9-6-7-12(11-16)10-15-20(14,18)19/h12,15H,2-11H2,1H3,(H2,14,18,19)
InChIKeyNKZXWMYSZIBFKO-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.99
Rot. Bonds8

About 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine

1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 115642411) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
PubChem CID115642411
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
SMILESCCCCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H27N3O3S/c1-2-3-4-5-8-13(17)16-9-6-7-12(11-16)10-15-20(14,18)19/h12,15H,2-11H2,1H3,(H2,14,18,19)
InChIKeyNKZXWMYSZIBFKO-UHFFFAOYSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
CID 80669729
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858

Frequently Asked Questions

What is the IUPAC name of 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine (CID 115642411) is 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine is CCCCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is NKZXWMYSZIBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-2-3-4-5-8-13(17)16-9-6-7-12(11-16)10-15-20(14,18)19/h12,15H,2-11H2,1H3,(H2,14,18,19).
What are the key properties of 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine?
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 305.44 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 115642411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).