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

C11H19N3O2S — CID 154477106

IUPAC1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCCN1
InChIInChI=1S/C11H19N3O2S/c12-9-5-1-3-7-11(9,13)17(15,16)10-6-2-4-8-14-10/h1,3,5,7,9-10,14H,2,4,6,8,12-13H2
InChIKeyIRHKOBFRJKPYDC-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.39
Rot. Bonds2

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

1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 154477106) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID154477106
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)C1CCCCN1
InChIInChI=1S/C11H19N3O2S/c12-9-5-1-3-7-11(9,13)17(15,16)10-6-2-4-8-14-10/h1,3,5,7,9-10,14H,2,4,6,8,12-13H2
InChIKeyIRHKOBFRJKPYDC-UHFFFAOYSA-N
XLogP-0.39
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750203
N-cyclohex-3-en-1-yl-1,1-dioxothian-4-amine
CID 65701883
N-cyclohex-3-en-1-yl-1,1-dioxothian-3-amine
CID 65702102
N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine
CID 107906589
3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 114410650
N-cyclohex-2-en-1-yl-1,1-dioxothian-3-amine
CID 115901465

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 154477106) is 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)S(=O)(=O)C1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is IRHKOBFRJKPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-9-5-1-3-7-11(9,13)17(15,16)10-6-2-4-8-14-10/h1,3,5,7,9-10,14H,2,4,6,8,12-13H2.
What are the key properties of 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 257.36 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 154477106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).