N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide

C10H21N3O3S — CID 64564371

IUPACN-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1CCCCCN1
InChIInChI=1S/C10H21N3O3S/c1-17(15,16)13-8-7-12-10(14)9-5-3-2-4-6-11-9/h9,11,13H,2-8H2,1H3,(H,12,14)
InChIKeyQKBCPIKDZGPXRU-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.82
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide

N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide (PubChem CID 64564371) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
PubChem CID64564371
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1CCCCCN1
InChIInChI=1S/C10H21N3O3S/c1-17(15,16)13-8-7-12-10(14)9-5-3-2-4-6-11-9/h9,11,13H,2-8H2,1H3,(H,12,14)
InChIKeyQKBCPIKDZGPXRU-UHFFFAOYSA-N
XLogP-0.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.82
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

(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119704335
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
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-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide (CID 64564371) is N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide is CS(=O)(=O)NCCNC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide?
The InChIKey is QKBCPIKDZGPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-17(15,16)13-8-7-12-10(14)9-5-3-2-4-6-11-9/h9,11,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide?
N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64564371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).