N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine

C14H19N3OS — CID 144531755

IUPACN-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine
SMILESCSc1cnc2[nH]ccc2c1N(O)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-19-12-9-16-14-11(7-8-15-14)13(12)17(18)10-5-3-2-4-6-10/h7-10,18H,2-6H2,1H3,(H,15,16)
InChIKeyADGWKHMHJCQHSK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.81
Rot. Bonds3

About N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine

N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine (PubChem CID 144531755) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine
PubChem CID144531755
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine
SMILESCSc1cnc2[nH]ccc2c1N(O)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-19-12-9-16-14-11(7-8-15-14)13(12)17(18)10-5-3-2-4-6-10/h7-10,18H,2-6H2,1H3,(H,15,16)
InChIKeyADGWKHMHJCQHSK-UHFFFAOYSA-N
XLogP3.81
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1H-pyrrolo(2,3-b)pyridin-3-amine
CID 24180721
N-[3-(benzenesulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868914
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
4-(Phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11481564
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162673339
4-(Benzylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine
CID 265826
3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
CID 10020040
1-(1H-Pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
CID 11543058
N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12016976
N-methyl-4-methylsulfanyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 70648669
Urea, N-(1-methylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N'-[4-[(trifluoromethyl)thio]phenyl]-
CID 72193625
4-[5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206291

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine?
The IUPAC name of N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine (CID 144531755) is N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine.
What is the SMILES notation for N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine?
The canonical SMILES for N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine is CSc1cnc2[nH]ccc2c1N(O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine?
The InChIKey is ADGWKHMHJCQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-19-12-9-16-14-11(7-8-15-14)13(12)17(18)10-5-3-2-4-6-10/h7-10,18H,2-6H2,1H3,(H,15,16).
What are the key properties of N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine?
N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine has a molecular weight of 277.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydroxylamine is sourced from PubChem (CID 144531755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).