N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide

C10H23N3O2S — CID 43268925

IUPACN-ethyl-N-propyl-1,4-diazepane-1-sulfonamide
SMILESCCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H23N3O2S/c1-3-8-12(4-2)16(14,15)13-9-5-6-11-7-10-13/h11H,3-10H2,1-2H3
InChIKeyASGWFMNMMFZCJY-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds5

About N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide

N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide (PubChem CID 43268925) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-propyl-1,4-diazepane-1-sulfonamide
PubChem CID43268925
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-N-propyl-1,4-diazepane-1-sulfonamide
SMILESCCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H23N3O2S/c1-3-8-12(4-2)16(14,15)13-9-5-6-11-7-10-13/h11H,3-10H2,1-2H3
InChIKeyASGWFMNMMFZCJY-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1,4-Diazepane-1-sulfonamide
CID 24705420
N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 28272931
1,4-Diazepane-1-sulfonyl fluoride hydrochloride
CID 165951146
N-ethyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010576
N-propyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010625
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010626
N-methyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 60891953
N-methyl-N-(3,3,3-trifluoropropyl)-1,4-diazepane-1-sulfonamide
CID 65538604
N-(2,2-Difluoroethyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 116315664
1,4-Diazepane-1-sulfonyl fluoride
CID 165944369
1-(Methylsulfonyl)-1,4-diazepane
CID 16227965
1-Piperazin-1-ylsulfonyl-1,4-diazepane
CID 20735244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide (CID 43268925) is N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide is CCCN(CC)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide?
The InChIKey is ASGWFMNMMFZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-8-12(4-2)16(14,15)13-9-5-6-11-7-10-13/h11H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide?
N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 43268925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).