1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine

C11H24N4O3S — CID 54873297

IUPAC1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESCNCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-13-6-2-5-11(16)15-7-3-4-10(9-15)8-14-19(12,17)18/h10,13-14H,2-9H2,1H3,(H2,12,17,18)
InChIKeyAKALMLBBHSQQHR-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.98
Rot. Bonds7

About 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine

1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 54873297) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
PubChem CID54873297
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC Name1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESCNCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-13-6-2-5-11(16)15-7-3-4-10(9-15)8-14-19(12,17)18/h10,13-14H,2-9H2,1H3,(H2,12,17,18)
InChIKeyAKALMLBBHSQQHR-UHFFFAOYSA-N
XLogP-0.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine (CID 54873297) is 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine is CNCCCC(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is AKALMLBBHSQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-13-6-2-5-11(16)15-7-3-4-10(9-15)8-14-19(12,17)18/h10,13-14H,2-9H2,1H3,(H2,12,17,18).
What are the key properties of 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine?
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 292.41 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 54873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).