N-(2-amino-4-propylsulfanylphenyl)hydroxylamine

C9H14N2OS — CID 130351484

IUPACN-(2-amino-4-propylsulfanylphenyl)hydroxylamine
SMILESCCCSc1ccc(NO)c(N)c1
InChIInChI=1S/C9H14N2OS/c1-2-5-13-7-3-4-9(11-12)8(10)6-7/h3-4,6,11-12H,2,5,10H2,1H3
InChIKeyQSMDYIOVVAPUME-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.57
Rot. Bonds4

About N-(2-amino-4-propylsulfanylphenyl)hydroxylamine

N-(2-amino-4-propylsulfanylphenyl)hydroxylamine (PubChem CID 130351484) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(2-amino-4-propylsulfanylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-amino-4-propylsulfanylphenyl)hydroxylamine
PubChem CID130351484
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(2-amino-4-propylsulfanylphenyl)hydroxylamine
SMILESCCCSc1ccc(NO)c(N)c1
InChIInChI=1S/C9H14N2OS/c1-2-5-13-7-3-4-9(11-12)8(10)6-7/h3-4,6,11-12H,2,5,10H2,1H3
InChIKeyQSMDYIOVVAPUME-UHFFFAOYSA-N
XLogP2.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propylsulfanylbenzene-1,2-diamine
CID 3017084
2-methoxy-5-propylsulfanylaniline
CID 97035009
2-chloro-4-propylsulfanylaniline
CID 79150326
2-ethoxy-4-propylsulfanylaniline
CID 63677395
N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949182
1,2-dimethyl-4-propylsulfanylbenzene
CID 130694880
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
N-methyl-2-nitro-4-propylsulfanylaniline
CID 91622419
N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-propylsulfanylphenyl)hydroxylamine?
The IUPAC name of N-(2-amino-4-propylsulfanylphenyl)hydroxylamine (CID 130351484) is N-(2-amino-4-propylsulfanylphenyl)hydroxylamine.
What is the SMILES notation for N-(2-amino-4-propylsulfanylphenyl)hydroxylamine?
The canonical SMILES for N-(2-amino-4-propylsulfanylphenyl)hydroxylamine is CCCSc1ccc(NO)c(N)c1.
What is the InChIKey of N-(2-amino-4-propylsulfanylphenyl)hydroxylamine?
The InChIKey is QSMDYIOVVAPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-5-13-7-3-4-9(11-12)8(10)6-7/h3-4,6,11-12H,2,5,10H2,1H3.
What are the key properties of N-(2-amino-4-propylsulfanylphenyl)hydroxylamine?
N-(2-amino-4-propylsulfanylphenyl)hydroxylamine has a molecular weight of 198.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-propylsulfanylphenyl)hydroxylamine is sourced from PubChem (CID 130351484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).