N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine

C10H13NS — CID 144873991

IUPACN-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine
SMILESCc1ccccc1C1(NS)CC1
InChIInChI=1S/C10H13NS/c1-8-4-2-3-5-9(8)10(11-12)6-7-10/h2-5,11-12H,6-7H2,1H3
InChIKeyYRCQXPUHOFXSNF-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.42
Rot. Bonds2

About N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine

N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine (PubChem CID 144873991) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine
PubChem CID144873991
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine
SMILESCc1ccccc1C1(NS)CC1
InChIInChI=1S/C10H13NS/c1-8-4-2-3-5-9(8)10(11-12)6-7-10/h2-5,11-12H,6-7H2,1H3
InChIKeyYRCQXPUHOFXSNF-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-4-(2-methylphenyl)piperidin-4-amine
CID 82285705
CID 175377072
CID 175377072
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
CID 70442596
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
2-methoxy-N-[1-(2-methylphenyl)cyclopropyl]butanamide
CID 131913167
N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
CID 84716994
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
2,2-bis(2-methylphenyl)adamantane
CID 173019574
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182
3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide
CID 118772337
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine?
The IUPAC name of N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine (CID 144873991) is N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine.
What is the SMILES notation for N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine?
The canonical SMILES for N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine is Cc1ccccc1C1(NS)CC1.
What is the InChIKey of N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine?
The InChIKey is YRCQXPUHOFXSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-4-2-3-5-9(8)10(11-12)6-7-10/h2-5,11-12H,6-7H2,1H3.
What are the key properties of N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine?
N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine has a molecular weight of 179.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine is sourced from PubChem (CID 144873991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).