1-pyridin-2-ylsulfonyl-1,4-diazepane

C10H15N3O2S — CID 86784566

IUPAC1-pyridin-2-ylsulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccccn1)N1CCCNCC1
InChIInChI=1S/C10H15N3O2S/c14-16(15,10-4-1-2-6-12-10)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyQEOQUBGQERVAGI-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.07
Rot. Bonds2

About 1-pyridin-2-ylsulfonyl-1,4-diazepane

1-pyridin-2-ylsulfonyl-1,4-diazepane (PubChem CID 86784566) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonyl-1,4-diazepane
PubChem CID86784566
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-pyridin-2-ylsulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccccn1)N1CCCNCC1
InChIInChI=1S/C10H15N3O2S/c14-16(15,10-4-1-2-6-12-10)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyQEOQUBGQERVAGI-UHFFFAOYSA-N
XLogP0.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
N-pyridin-2-ylpiperazine-1-sulfonamide
CID 28775630
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
1-pyridin-2-ylsulfonylazocan-3-one
CID 142005243
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609
1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
CID 71637437
1-anthracen-9-ylsulfonyl-1,4-diazepane;hydrochloride
CID 19826009
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonyl-1,4-diazepane?
The IUPAC name of 1-pyridin-2-ylsulfonyl-1,4-diazepane (CID 86784566) is 1-pyridin-2-ylsulfonyl-1,4-diazepane.
What is the SMILES notation for 1-pyridin-2-ylsulfonyl-1,4-diazepane?
The canonical SMILES for 1-pyridin-2-ylsulfonyl-1,4-diazepane is O=S(=O)(c1ccccn1)N1CCCNCC1.
What is the InChIKey of 1-pyridin-2-ylsulfonyl-1,4-diazepane?
The InChIKey is QEOQUBGQERVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-16(15,10-4-1-2-6-12-10)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 1-pyridin-2-ylsulfonyl-1,4-diazepane?
1-pyridin-2-ylsulfonyl-1,4-diazepane has a molecular weight of 241.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonyl-1,4-diazepane is sourced from PubChem (CID 86784566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).