1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene

C10H16N2OS — CID 162446270

IUPAC1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
SMILES[H]N=S(N)(=O)c1ccccc1CC(C)C
InChIInChI=1S/C10H16N2OS/c1-8(2)7-9-5-3-4-6-10(9)14(11,12)13/h3-6,8H,7H2,1-2H3,(H3,11,12,13)
InChIKeyKFSAJEBIAPUDMX-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.16
Rot. Bonds3

About 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene

1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene (PubChem CID 162446270) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
PubChem CID162446270
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
SMILES[H]N=S(N)(=O)c1ccccc1CC(C)C
InChIInChI=1S/C10H16N2OS/c1-8(2)7-9-5-3-4-6-10(9)14(11,12)13/h3-6,8H,7H2,1-2H3,(H3,11,12,13)
InChIKeyKFSAJEBIAPUDMX-UHFFFAOYSA-N
XLogP2.16
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminosulfonimidoyl)phenyl]methanol
CID 151851038
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
2-methoxy-3-(2-methylpropyl)benzenesulfonamide
CID 141351219
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
2-(2-methylpropyl)phenol;propane
CID 158609255
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911

Frequently Asked Questions

What is the IUPAC name of 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene?
The IUPAC name of 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene (CID 162446270) is 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene?
The canonical SMILES for 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene is [H]N=S(N)(=O)c1ccccc1CC(C)C.
What is the InChIKey of 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene?
The InChIKey is KFSAJEBIAPUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)7-9-5-3-4-6-10(9)14(11,12)13/h3-6,8H,7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene?
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene has a molecular weight of 212.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene is sourced from PubChem (CID 162446270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).