2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen

C13H20N2O2S — CID 166081963

IUPAC2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
SMILESCNCC(C)(C)S(=O)(=O)c1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C13H18N2O2S.H2/c1-13(2,9-14-3)18(16,17)12-8-15-11-7-5-4-6-10(11)12;/h4-8,14-15H,9H2,1-3H3;1H
InChIKeyGUGRPDQYVBLNAW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.19
Rot. Bonds4

About 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen

2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen (PubChem CID 166081963) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
PubChem CID166081963
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
SMILESCNCC(C)(C)S(=O)(=O)c1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C13H18N2O2S.H2/c1-13(2,9-14-3)18(16,17)12-8-15-11-7-5-4-6-10(11)12;/h4-8,14-15H,9H2,1-3H3;1H
InChIKeyGUGRPDQYVBLNAW-UHFFFAOYSA-N
XLogP2.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-1H-indole
CID 86767790
1H-indole-3-sulfonohydrazide
CID 82284140
N-chloro-1H-indole-3-sulfonamide
CID 90719858
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853109
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
4,4-difluoro-3-(1H-indol-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289280
1H-indole;3-methylsulfonyl-1H-indole
CID 167634446
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen?
The IUPAC name of 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen (CID 166081963) is 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen?
The canonical SMILES for 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen is CNCC(C)(C)S(=O)(=O)c1c[nH]c2ccccc12.[H][H].
What is the InChIKey of 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen?
The InChIKey is GUGRPDQYVBLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.H2/c1-13(2,9-14-3)18(16,17)12-8-15-11-7-5-4-6-10(11)12;/h4-8,14-15H,9H2,1-3H3;1H.
What are the key properties of 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen?
2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen has a molecular weight of 268.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 166081963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).