N-(3-phenylsulfanylpropyl)hydroxylamine

C9H13NOS — CID 90764549

IUPACN-(3-phenylsulfanylpropyl)hydroxylamine
SMILESONCCCSc1ccccc1
InChIInChI=1S/C9H13NOS/c11-10-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
InChIKeyRMERBSCKOVMMQU-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds5

About N-(3-phenylsulfanylpropyl)hydroxylamine

N-(3-phenylsulfanylpropyl)hydroxylamine (PubChem CID 90764549) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(3-phenylsulfanylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-phenylsulfanylpropyl)hydroxylamine
PubChem CID90764549
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-(3-phenylsulfanylpropyl)hydroxylamine
SMILESONCCCSc1ccccc1
InChIInChI=1S/C9H13NOS/c11-10-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
InChIKeyRMERBSCKOVMMQU-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-phenylsulfanylpropan-1-amine
CID 91622723
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530
3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine
CID 13020065
3-phenylsulfanylpropylazanium chloride
CID 70560097
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073
5-phenylsulfanylpentan-1-amine
CID 15227684
4-phenylsulfanylbutylazanium chloride
CID 118514341
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
N-(3-phenylsulfanylpropoxy)methanamine
CID 143014343

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylsulfanylpropyl)hydroxylamine?
The IUPAC name of N-(3-phenylsulfanylpropyl)hydroxylamine (CID 90764549) is N-(3-phenylsulfanylpropyl)hydroxylamine.
What is the SMILES notation for N-(3-phenylsulfanylpropyl)hydroxylamine?
The canonical SMILES for N-(3-phenylsulfanylpropyl)hydroxylamine is ONCCCSc1ccccc1.
What is the InChIKey of N-(3-phenylsulfanylpropyl)hydroxylamine?
The InChIKey is RMERBSCKOVMMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-10-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2.
What are the key properties of N-(3-phenylsulfanylpropyl)hydroxylamine?
N-(3-phenylsulfanylpropyl)hydroxylamine has a molecular weight of 183.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylsulfanylpropyl)hydroxylamine is sourced from PubChem (CID 90764549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).