1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine

C11H24N4O3S — CID 81086812

IUPAC1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(CN)CC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-9(6-12)5-11(16)15-4-2-3-10(8-15)7-14-19(13,17)18/h9-10,14H,2-8,12H2,1H3,(H2,13,17,18)
InChIKeyINSOYBCEFFJKSA-UHFFFAOYSA-N
MW292.40 g/mol
LogP-1.00
Rot. Bonds6

About 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine

1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 81086812) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID81086812
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC Name1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(CN)CC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-9(6-12)5-11(16)15-4-2-3-10(8-15)7-14-19(13,17)18/h9-10,14H,2-8,12H2,1H3,(H2,13,17,18)
InChIKeyINSOYBCEFFJKSA-UHFFFAOYSA-N
XLogP-1.00
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine (CID 81086812) is 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine is CC(CN)CC(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is INSOYBCEFFJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9(6-12)5-11(16)15-4-2-3-10(8-15)7-14-19(13,17)18/h9-10,14H,2-8,12H2,1H3,(H2,13,17,18).
What are the key properties of 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 292.40 g/mol, XLogP of -1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 81086812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).