N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide

C10H21N3O3S — CID 106336200

IUPACN-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCCNC(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-2-13-17(15,16)7-6-11-9-4-3-5-12-10(14)8-9/h9,11,13H,2-8H2,1H3,(H,12,14)
InChIKeyAGYJSDAPBRFPGV-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.82
Rot. Bonds6

About N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide (PubChem CID 106336200) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
PubChem CID106336200
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCCNC(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-2-13-17(15,16)7-6-11-9-4-3-5-12-10(14)8-9/h9,11,13H,2-8H2,1H3,(H,12,14)
InChIKeyAGYJSDAPBRFPGV-UHFFFAOYSA-N
XLogP-0.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

4-(2-aminoethylamino)azepan-2-one
CID 63887291
N-ethyl-N-[3-[(2-oxoazepan-4-yl)amino]propyl]methanesulfonamide
CID 63905047
4-(4-hydroxybutylamino)azepan-2-one
CID 106841878
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
4-[(1-methylcyclopentyl)methylamino]azepan-2-one
CID 63889274
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
N-[2-(ethylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113233795
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
CID 106334534
4-(2-morpholin-4-ylethylamino)azepan-2-one
CID 63904459
4-(2-methylpentan-3-ylamino)azepan-2-one
CID 63902955
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]azepan-2-one
CID 115454770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide (CID 106336200) is N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC1CCCNC(=O)C1.
What is the InChIKey of N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide?
The InChIKey is AGYJSDAPBRFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-13-17(15,16)7-6-11-9-4-3-5-12-10(14)8-9/h9,11,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106336200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).