3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide

C13H20N2O2S — CID 70981718

IUPAC3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)NCC2(C)C
InChIInChI=1S/C13H20N2O2S/c1-4-7-15-18(16,17)10-5-6-11-12(8-10)14-9-13(11,2)3/h5-6,8,14-15H,4,7,9H2,1-3H3
InChIKeyRBWOBDVRSIEBGG-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds4

About 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide

3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide (PubChem CID 70981718) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide
PubChem CID70981718
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)NCC2(C)C
InChIInChI=1S/C13H20N2O2S/c1-4-7-15-18(16,17)10-5-6-11-12(8-10)14-9-13(11,2)3/h5-6,8,14-15H,4,7,9H2,1-3H3
InChIKeyRBWOBDVRSIEBGG-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-hexyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098729
N-(3-aminopropyl)-2,2-diethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355130
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
5-fluoro-3,3-dimethyl-6-propylsulfonyl-1,2-dihydroindole
CID 90231911
2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355205
2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935213
3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
CID 46941780
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide
CID 46385628

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide (CID 70981718) is 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)NCC2(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide?
The InChIKey is RBWOBDVRSIEBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-7-15-18(16,17)10-5-6-11-12(8-10)14-9-13(11,2)3/h5-6,8,14-15H,4,7,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide?
3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide is sourced from PubChem (CID 70981718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).