4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide

C10H23N3O2S — CID 75483805

IUPAC4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
SMILESCCN1CCCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-4-12-6-5-7-13(9-8-12)16(14,15)11-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZKEPYGAYVTTWGO-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds4

About 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide

4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide (PubChem CID 75483805) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
PubChem CID75483805
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
SMILESCCN1CCCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-4-12-6-5-7-13(9-8-12)16(14,15)11-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZKEPYGAYVTTWGO-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyanomethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 115969694
4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 113356656
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
CID 98757499
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
4-(methylamino)-N-propan-2-ylpiperidine-1-sulfonamide
CID 114803086
4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 114807878
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide (CID 75483805) is 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide is CCN1CCCN(S(=O)(=O)NC(C)C)CC1.
What is the InChIKey of 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The InChIKey is ZKEPYGAYVTTWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-12-6-5-7-13(9-8-12)16(14,15)11-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 75483805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).