3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole

C14H21N3O2S — CID 113084118

IUPAC3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
SMILESCN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3O2S/c1-14(2,10-16-20(18,19)17(3)4)12-9-15-13-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3
InChIKeyGWOGSYSHKOYNRM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole

3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole (PubChem CID 113084118) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
PubChem CID113084118
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
SMILESCN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3O2S/c1-14(2,10-16-20(18,19)17(3)4)12-9-15-13-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3
InChIKeyGWOGSYSHKOYNRM-UHFFFAOYSA-N
XLogP1.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
CID 113084136
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole?
The IUPAC name of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole (CID 113084118) is 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole.
What is the SMILES notation for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole?
The canonical SMILES for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole is CN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole?
The InChIKey is GWOGSYSHKOYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-14(2,10-16-20(18,19)17(3)4)12-9-15-13-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3.
What are the key properties of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole?
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole has a molecular weight of 295.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole is sourced from PubChem (CID 113084118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).