N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H19N3O3S — CID 115318993

IUPACN-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N(C)CCCN)cc21
InChIInChI=1S/C13H19N3O3S/c1-9-11-8-10(4-5-12(11)15-13(9)17)20(18,19)16(2)7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyBNFBYFCEIHFHSY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.71
Rot. Bonds5

About N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 115318993) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID115318993
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N(C)CCCN)cc21
InChIInChI=1S/C13H19N3O3S/c1-9-11-8-10(4-5-12(11)15-13(9)17)20(18,19)16(2)7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyBNFBYFCEIHFHSY-UHFFFAOYSA-N
XLogP0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188492
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
CID 9187509
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
2-[methyl-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonyl]amino]propanoic acid
CID 62626247
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188424
N-(3-methoxyphenyl)-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188603

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 115318993) is N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CC1C(=O)Nc2ccc(S(=O)(=O)N(C)CCCN)cc21.
What is the InChIKey of N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is BNFBYFCEIHFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-11-8-10(4-5-12(11)15-13(9)17)20(18,19)16(2)7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 115318993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).