1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine

C9H20N4O3S — CID 54873272

IUPAC1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(N)C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C9H20N4O3S/c1-7(10)9(14)13-4-2-3-8(6-13)5-12-17(11,15)16/h7-8,12H,2-6,10H2,1H3,(H2,11,15,16)
InChIKeyJHFZDIGOCUTJNZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.63
Rot. Bonds4

About 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine

1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 54873272) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID54873272
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(N)C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C9H20N4O3S/c1-7(10)9(14)13-4-2-3-8(6-13)5-12-17(11,15)16/h7-8,12H,2-6,10H2,1H3,(H2,11,15,16)
InChIKeyJHFZDIGOCUTJNZ-UHFFFAOYSA-N
XLogP-1.63
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine (CID 54873272) is 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine is CC(N)C(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is JHFZDIGOCUTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-7(10)9(14)13-4-2-3-8(6-13)5-12-17(11,15)16/h7-8,12H,2-6,10H2,1H3,(H2,11,15,16).
What are the key properties of 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 264.35 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 54873272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).