4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide

C10H21N3O5S2 — CID 167973143

IUPAC4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide
SMILESCC1OCCC1S(=O)(=O)N1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H21N3O5S2/c1-9-10(3-8-18-9)19(14,15)12-4-2-5-13(7-6-12)20(11,16)17/h9-10H,2-8H2,1H3,(H2,11,16,17)
InChIKeyRQCGVNFZSANADC-UHFFFAOYSA-N
MW327.43 g/mol
LogP-1.30
Rot. Bonds3

About 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide

4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide (PubChem CID 167973143) has the molecular formula C10H21N3O5S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide
PubChem CID167973143
Molecular FormulaC10H21N3O5S2
Molecular Weight327.43 g/mol
Exact Mass327.09
IUPAC Name4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide
SMILESCC1OCCC1S(=O)(=O)N1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H21N3O5S2/c1-9-10(3-8-18-9)19(14,15)12-4-2-5-13(7-6-12)20(11,16)17/h9-10H,2-8H2,1H3,(H2,11,16,17)
InChIKeyRQCGVNFZSANADC-UHFFFAOYSA-N
XLogP-1.30
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide (CID 167973143) is 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide is CC1OCCC1S(=O)(=O)N1CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide?
The InChIKey is RQCGVNFZSANADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S2/c1-9-10(3-8-18-9)19(14,15)12-4-2-5-13(7-6-12)20(11,16)17/h9-10H,2-8H2,1H3,(H2,11,16,17).
What are the key properties of 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide?
4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 167973143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).