1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine

C11H19N3O2S — CID 152750203

IUPAC1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-6-2-3-7-11(10,13)17(15,16)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9,12-13H2
InChIKeyHTAGXAXQXBFIIP-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.09
Rot. Bonds2

About 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine

1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152750203) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152750203
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-6-2-3-7-11(10,13)17(15,16)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9,12-13H2
InChIKeyHTAGXAXQXBFIIP-UHFFFAOYSA-N
XLogP-0.09
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
CID 90983960
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
CID 91039693
4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
CID 134446947
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
CID 143885490
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172249
1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide
CID 152748453
1-Pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750264
1-Piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 154477106
1-(Cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
CID 156776870
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-disulfonamide
CID 164863467

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 152750203) is 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is HTAGXAXQXBFIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-10-6-2-3-7-11(10,13)17(15,16)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9,12-13H2.
What are the key properties of 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 257.36 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152750203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).