[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene

C12H20N2O2S — CID 112684756

IUPAC[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
SMILESCC(C)(C)CC(NS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)9-11(14-17(13,15)16)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3,(H2,13,15,16)
InChIKeyPLUNBVPPLLWBAF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.96
Rot. Bonds4

About [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene

[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene (PubChem CID 112684756) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene.

Molecular Properties

Compound Name[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
PubChem CID112684756
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
SMILESCC(C)(C)CC(NS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)9-11(14-17(13,15)16)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3,(H2,13,15,16)
InChIKeyPLUNBVPPLLWBAF-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
CID 82712727
N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 39596248
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
ethyl (2R)-4,4-dimethyl-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462808
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene?
The IUPAC name of [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene (CID 112684756) is [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene.
What is the SMILES notation for [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene?
The canonical SMILES for [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene is CC(C)(C)CC(NS(N)(=O)=O)c1ccccc1.
What is the InChIKey of [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene?
The InChIKey is PLUNBVPPLLWBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)9-11(14-17(13,15)16)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3,(H2,13,15,16).
What are the key properties of [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene?
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene has a molecular weight of 256.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(sulfamoylamino)butyl]benzene is sourced from PubChem (CID 112684756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).