N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine

C9H21N3O3S — CID 114815036

IUPACN-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine
SMILESCOCCNS(=O)(=O)NC1CCC(C)NC1
InChIInChI=1S/C9H21N3O3S/c1-8-3-4-9(7-10-8)12-16(13,14)11-5-6-15-2/h8-12H,3-7H2,1-2H3
InChIKeyFITVUKJRVOLCJA-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.80
Rot. Bonds6

About N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine

N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine (PubChem CID 114815036) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine
PubChem CID114815036
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine
SMILESCOCCNS(=O)(=O)NC1CCC(C)NC1
InChIInChI=1S/C9H21N3O3S/c1-8-3-4-9(7-10-8)12-16(13,14)11-5-6-15-2/h8-12H,3-7H2,1-2H3
InChIKeyFITVUKJRVOLCJA-UHFFFAOYSA-N
XLogP-0.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.80
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

N-(2-methoxyethylsulfamoyl)piperidin-3-amine
CID 114814253
N-(2-methoxyethylsulfamoyl)piperidin-4-amine
CID 114814237
2-methoxy-N-[(6-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
CID 114815014
trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
CID 102739274
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
CID 114386504
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
N-[(6-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide
CID 64554725
2-ethoxy-N-[(6-methylpiperidin-3-yl)methyl]ethanesulfonamide
CID 63245786

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine (CID 114815036) is N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine is COCCNS(=O)(=O)NC1CCC(C)NC1.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine?
The InChIKey is FITVUKJRVOLCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-8-3-4-9(7-10-8)12-16(13,14)11-5-6-15-2/h8-12H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine?
N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine has a molecular weight of 251.35 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine is sourced from PubChem (CID 114815036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).