3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine

C13H17NO3S — CID 116853181

IUPAC3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)CS(=O)(=O)c1coc2ccccc12
InChIInChI=1S/C13H17NO3S/c1-13(2,8-14)9-18(15,16)12-7-17-11-6-4-3-5-10(11)12/h3-7H,8-9,14H2,1-2H3
InChIKeyRVWROJYOKTWXQR-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.19
Rot. Bonds4

About 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine

3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine (PubChem CID 116853181) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine
PubChem CID116853181
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)CS(=O)(=O)c1coc2ccccc12
InChIInChI=1S/C13H17NO3S/c1-13(2,8-14)9-18(15,16)12-7-17-11-6-4-3-5-10(11)12/h3-7H,8-9,14H2,1-2H3
InChIKeyRVWROJYOKTWXQR-UHFFFAOYSA-N
XLogP2.19
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
4-(3-amino-2,2-dimethylpropyl)sulfonylphenol
CID 115045071
methyl N-(4-oxochromen-3-yl)sulfonylcarbamate
CID 14931413
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
1-benzofuran-3-ylmethanesulfonic acid
CID 18415250
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine (CID 116853181) is 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)CS(=O)(=O)c1coc2ccccc12.
What is the InChIKey of 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine?
The InChIKey is RVWROJYOKTWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(2,8-14)9-18(15,16)12-7-17-11-6-4-3-5-10(11)12/h3-7H,8-9,14H2,1-2H3.
What are the key properties of 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine?
3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116853181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).