1,4-bis(propylsulfonyl)-1,4-diazepane

C11H24N2O4S2 — CID 52744132

IUPAC1,4-bis(propylsulfonyl)-1,4-diazepane
SMILESCCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-10-18(14,15)12-6-5-7-13(9-8-12)19(16,17)11-4-2/h3-11H2,1-2H3
InChIKeyUUSHKYXUNLAENH-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.47
Rot. Bonds6

About 1,4-bis(propylsulfonyl)-1,4-diazepane

1,4-bis(propylsulfonyl)-1,4-diazepane (PubChem CID 52744132) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1,4-bis(propylsulfonyl)-1,4-diazepane.

Molecular Properties

Compound Name1,4-bis(propylsulfonyl)-1,4-diazepane
PubChem CID52744132
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name1,4-bis(propylsulfonyl)-1,4-diazepane
SMILESCCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-10-18(14,15)12-6-5-7-13(9-8-12)19(16,17)11-4-2/h3-11H2,1-2H3
InChIKeyUUSHKYXUNLAENH-UHFFFAOYSA-N
XLogP0.47
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-(cyclopropylmethyl)-4-propylsulfonyl-1,4-diazepane
CID 95751498
4-propylsulfonyl-1,4-oxazepane
CID 62067172
4-propylsulfonylpiperazine-1-carbaldehyde
CID 60643312
1-(3-propylsulfonyl-1,3-diazinan-1-yl)ethanone
CID 46228228
1-(3,4-dimethylphenyl)sulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799671
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
1-butylsulfonyl-4-(2-chloroethyl)-1,4-diazepane
CID 63397592
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
CID 171348273

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(propylsulfonyl)-1,4-diazepane?
The IUPAC name of 1,4-bis(propylsulfonyl)-1,4-diazepane (CID 52744132) is 1,4-bis(propylsulfonyl)-1,4-diazepane.
What is the SMILES notation for 1,4-bis(propylsulfonyl)-1,4-diazepane?
The canonical SMILES for 1,4-bis(propylsulfonyl)-1,4-diazepane is CCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of 1,4-bis(propylsulfonyl)-1,4-diazepane?
The InChIKey is UUSHKYXUNLAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-10-18(14,15)12-6-5-7-13(9-8-12)19(16,17)11-4-2/h3-11H2,1-2H3.
What are the key properties of 1,4-bis(propylsulfonyl)-1,4-diazepane?
1,4-bis(propylsulfonyl)-1,4-diazepane has a molecular weight of 312.46 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(propylsulfonyl)-1,4-diazepane is sourced from PubChem (CID 52744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).