N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide

C15H25N3O2S — CID 28940813

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H25N3O2S/c1-15(2,11-18(3)4)10-17-21(19,20)13-5-6-14-12(9-13)7-8-16-14/h5-6,9,16-17H,7-8,10-11H2,1-4H3
InChIKeyWLOPJSOUGFHOEY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.52
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 28940813) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID28940813
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H25N3O2S/c1-15(2,11-18(3)4)10-17-21(19,20)13-5-6-14-12(9-13)7-8-16-14/h5-6,9,16-17H,7-8,10-11H2,1-4H3
InChIKeyWLOPJSOUGFHOEY-UHFFFAOYSA-N
XLogP1.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
5-(Morpholin-4-ylsulfonyl)indoline
CID 6486016
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
Indoline, 1-methylsulfonyl-5-(1-piperidylsulfonyl)-
CID 608636

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide (CID 28940813) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is WLOPJSOUGFHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,11-18(3)4)10-17-21(19,20)13-5-6-14-12(9-13)7-8-16-14/h5-6,9,16-17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 28940813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).