N,N-dipropyl-1,4-diazepane-1-sulfonamide

C11H25N3O2S — CID 28746678

IUPACN,N-dipropyl-1,4-diazepane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O2S/c1-3-8-13(9-4-2)17(15,16)14-10-5-6-12-7-11-14/h12H,3-11H2,1-2H3
InChIKeyWZMPGSGZKNLHSR-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.65
Rot. Bonds6

About N,N-dipropyl-1,4-diazepane-1-sulfonamide

N,N-dipropyl-1,4-diazepane-1-sulfonamide (PubChem CID 28746678) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N,N-dipropyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-1,4-diazepane-1-sulfonamide
PubChem CID28746678
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN,N-dipropyl-1,4-diazepane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O2S/c1-3-8-13(9-4-2)17(15,16)14-10-5-6-12-7-11-14/h12H,3-11H2,1-2H3
InChIKeyWZMPGSGZKNLHSR-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.65
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,N-dipropyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N-dipropyl-1,4-diazepane-1-sulfonamide (CID 28746678) is N,N-dipropyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N-dipropyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N-dipropyl-1,4-diazepane-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N,N-dipropyl-1,4-diazepane-1-sulfonamide?
The InChIKey is WZMPGSGZKNLHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-8-13(9-4-2)17(15,16)14-10-5-6-12-7-11-14/h12H,3-11H2,1-2H3.
What are the key properties of N,N-dipropyl-1,4-diazepane-1-sulfonamide?
N,N-dipropyl-1,4-diazepane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 28746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).