N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C17H18N4O3S — CID 71221289

IUPACN-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)C1C=CC=NC1N2
InChIInChI=1S/C17H18N4O3S/c1-10-16(11(2)24-20-10)25(22,23)21(3)12-6-7-15-14(9-12)13-5-4-8-18-17(13)19-15/h4-9,13,17,19H,1-3H3
InChIKeyGWLMAGHFQWBHHO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.59
Rot. Bonds3

About N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 71221289) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID71221289
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)C1C=CC=NC1N2
InChIInChI=1S/C17H18N4O3S/c1-10-16(11(2)24-20-10)25(22,23)21(3)12-6-7-15-14(9-12)13-5-4-8-18-17(13)19-15/h4-9,13,17,19H,1-3H3
InChIKeyGWLMAGHFQWBHHO-UHFFFAOYSA-N
XLogP2.59
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567
N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 20851644
N-cyclopropyl-3,5-dimethyl-N-pyridin-2-yl-1,2-oxazole-4-sulfonamide
CID 110723188
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
N-(1-cyclopropylethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 134018149
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 158973153
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
CID 34136811
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110752992
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17463981

Frequently Asked Questions

What is the IUPAC name of N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 71221289) is N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)C1C=CC=NC1N2.
What is the InChIKey of N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is GWLMAGHFQWBHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-16(11(2)24-20-10)25(22,23)21(3)12-6-7-15-14(9-12)13-5-4-8-18-17(13)19-15/h4-9,13,17,19H,1-3H3.
What are the key properties of N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71221289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).