1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine

C10H20ClN3O3S — CID 62727034

IUPAC1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(CCl)C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H20ClN3O3S/c1-8(5-11)10(15)14-4-2-3-9(7-14)6-13-18(12,16)17/h8-9,13H,2-7H2,1H3,(H2,12,16,17)
InChIKeyABGFPNXKEZSMLW-UHFFFAOYSA-N
MW297.81 g/mol
LogP-0.11
Rot. Bonds5

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

1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 62727034) has the molecular formula C10H20ClN3O3S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID62727034
Molecular FormulaC10H20ClN3O3S
Molecular Weight297.81 g/mol
Exact Mass297.09
IUPAC Name1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(CCl)C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H20ClN3O3S/c1-8(5-11)10(15)14-4-2-3-9(7-14)6-13-18(12,16)17/h8-9,13H,2-7H2,1H3,(H2,12,16,17)
InChIKeyABGFPNXKEZSMLW-UHFFFAOYSA-N
XLogP-0.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
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
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine (CID 62727034) is 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine is CC(CCl)C(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is ABGFPNXKEZSMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN3O3S/c1-8(5-11)10(15)14-4-2-3-9(7-14)6-13-18(12,16)17/h8-9,13H,2-7H2,1H3,(H2,12,16,17).
What are the key properties of 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 297.81 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 62727034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).