(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride

C9H20ClN3O3S — CID 119704335

IUPAC(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C9H19N3O3S.ClH/c1-16(14,15)12-7-6-11-9(13)8-4-2-3-5-10-8;/h8,10,12H,2-7H2,1H3,(H,11,13);1H/t8-;/m1./s1
InChIKeyHKWCBCJJQPBMLX-DDWIOCJRSA-N
MW285.80 g/mol
LogP-0.78
Rot. Bonds5

About (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119704335) has the molecular formula C9H20ClN3O3S and a molecular weight of 285.80 g/mol. Its IUPAC name is (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119704335
Molecular FormulaC9H20ClN3O3S
Molecular Weight285.80 g/mol
Exact Mass285.09
IUPAC Name(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C9H19N3O3S.ClH/c1-16(14,15)12-7-6-11-9(13)8-4-2-3-5-10-8;/h8,10,12H,2-7H2,1H3,(H,11,13);1H/t8-;/m1./s1
InChIKeyHKWCBCJJQPBMLX-DDWIOCJRSA-N
XLogP-0.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 5-0.78
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-(methanesulfonamido)ethyl]azepane-2-carboxamide
CID 64564371
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
(2R)-N-[2-(ethylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 103796458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119704335) is (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride is CS(=O)(=O)NCCNC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is HKWCBCJJQPBMLX-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H19N3O3S.ClH/c1-16(14,15)12-7-6-11-9(13)8-4-2-3-5-10-8;/h8,10,12H,2-7H2,1H3,(H,11,13);1H/t8-;/m1./s1.
What are the key properties of (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119704335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).