5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine

C16H26N4O2S — CID 140980197

IUPAC5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1C(N)=C(N)C=CC1(C)S(=O)(=O)C1(C)C=CC(N)=C(N)C1C
InChIInChI=1S/C16H26N4O2S/c1-9-13(19)11(17)5-7-15(9,3)23(21,22)16(4)8-6-12(18)14(20)10(16)2/h5-10H,17-20H2,1-4H3
InChIKeyPFSGOHXDLHRHSW-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.59
Rot. Bonds2

About 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine

5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 140980197) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine
PubChem CID140980197
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1C(N)=C(N)C=CC1(C)S(=O)(=O)C1(C)C=CC(N)=C(N)C1C
InChIInChI=1S/C16H26N4O2S/c1-9-13(19)11(17)5-7-15(9,3)23(21,22)16(4)8-6-12(18)14(20)10(16)2/h5-10H,17-20H2,1-4H3
InChIKeyPFSGOHXDLHRHSW-UHFFFAOYSA-N
XLogP0.59
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1,2-dihydropyridine-3,4-diamine
CID 86341262
sodium 5-amino-6-hydroxy-1-methylcyclohexa-2,4-diene-1-sulfonate
CID 175360315
5-cyano-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 151419917
5-iodo-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 150104265
5-but-1-enyl-1-(5-but-1-enyl-5,6-dimethylcyclohexa-1,3-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene
CID 141014675
5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine
CID 126494577
2-(1,4,6-trimethylcyclohexa-2,4-dien-1-yl)sulfonylbutane-1,1,1-triol
CID 141226585
1,6-dimethyl-5-tetradecylcyclohexa-2,4-diene-1-sulfonic acid
CID 175815721
8a-methyl-1H-naphthalene-1,4-diamine
CID 163261239
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
2,3,4,5-tetramethylcyclohexa-1,5-diene-1,4-diamine
CID 69333646
6-amino-3,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 88712152

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine (CID 140980197) is 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine is CC1C(N)=C(N)C=CC1(C)S(=O)(=O)C1(C)C=CC(N)=C(N)C1C.
What is the InChIKey of 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is PFSGOHXDLHRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-9-13(19)11(17)5-7-15(9,3)23(21,22)16(4)8-6-12(18)14(20)10(16)2/h5-10H,17-20H2,1-4H3.
What are the key properties of 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine?
5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 338.48 g/mol, XLogP of 0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 140980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).