5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine

C12H20N4O2S — CID 82223030

IUPAC5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(S(=O)(=O)N2CCCNCC2)c1
InChIInChI=1S/C12H20N4O2S/c1-2-15-11-8-12(10-14-9-11)19(17,18)16-6-3-4-13-5-7-16/h8-10,13,15H,2-7H2,1H3
InChIKeyPVAUNPZEEMJYPZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.50
Rot. Bonds4

About 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine

5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine (PubChem CID 82223030) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine
PubChem CID82223030
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(S(=O)(=O)N2CCCNCC2)c1
InChIInChI=1S/C12H20N4O2S/c1-2-15-11-8-12(10-14-9-11)19(17,18)16-6-3-4-13-5-7-16/h8-10,13,15H,2-7H2,1H3
InChIKeyPVAUNPZEEMJYPZ-UHFFFAOYSA-N
XLogP0.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(2-methylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 82223014
N-ethyl-5-(2-ethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 82223007
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963332
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
1-(3-ethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 120999396
N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine
CID 136574946
1-(2-ethylpyrazol-3-yl)sulfonyl-1,4-diazepane
CID 120706967
5-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 82222980
3-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylbenzenesulfonamide
CID 119963222
1-[3-(bromomethyl)phenyl]sulfonyl-1,4-diazepane
CID 71650578
5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 82222898

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine?
The IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine (CID 82223030) is 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine?
The canonical SMILES for 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine is CCNc1cncc(S(=O)(=O)N2CCCNCC2)c1.
What is the InChIKey of 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine?
The InChIKey is PVAUNPZEEMJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-15-11-8-12(10-14-9-11)19(17,18)16-6-3-4-13-5-7-16/h8-10,13,15H,2-7H2,1H3.
What are the key properties of 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine?
5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine is sourced from PubChem (CID 82223030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).