N-tert-butyl-N-cyclopentylthiohydroxylamine

C9H19NS — CID 130247100

IUPACN-tert-butyl-N-cyclopentylthiohydroxylamine
SMILESCC(C)(C)N(S)C1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)10(11)8-6-4-5-7-8/h8,11H,4-7H2,1-3H3
InChIKeyYETBHRGEUJXPGT-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.87
Rot. Bonds1

About N-tert-butyl-N-cyclopentylthiohydroxylamine

N-tert-butyl-N-cyclopentylthiohydroxylamine (PubChem CID 130247100) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is N-tert-butyl-N-cyclopentylthiohydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-cyclopentylthiohydroxylamine
PubChem CID130247100
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC NameN-tert-butyl-N-cyclopentylthiohydroxylamine
SMILESCC(C)(C)N(S)C1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)10(11)8-6-4-5-7-8/h8,11H,4-7H2,1-3H3
InChIKeyYETBHRGEUJXPGT-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-cycloheptylhydroxylamine
CID 121217843
5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine
CID 139305822
N,N-dicyclohexylcyclohexanamine
CID 175770337
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
N-tert-butyl-N-(5-tert-butylcyclooctyl)hydroxylamine
CID 167289375
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-cyclopentylthiohydroxylamine?
The IUPAC name of N-tert-butyl-N-cyclopentylthiohydroxylamine (CID 130247100) is N-tert-butyl-N-cyclopentylthiohydroxylamine.
What is the SMILES notation for N-tert-butyl-N-cyclopentylthiohydroxylamine?
The canonical SMILES for N-tert-butyl-N-cyclopentylthiohydroxylamine is CC(C)(C)N(S)C1CCCC1.
What is the InChIKey of N-tert-butyl-N-cyclopentylthiohydroxylamine?
The InChIKey is YETBHRGEUJXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)10(11)8-6-4-5-7-8/h8,11H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-N-cyclopentylthiohydroxylamine?
N-tert-butyl-N-cyclopentylthiohydroxylamine has a molecular weight of 173.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-cyclopentylthiohydroxylamine is sourced from PubChem (CID 130247100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).