N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine

C10H21NS — CID 145095599

IUPACN-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine
SMILESCCCN(S)CC1CCC(C)C1
InChIInChI=1S/C10H21NS/c1-3-6-11(12)8-10-5-4-9(2)7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWMIVBSMEFFLERE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.98
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine

N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine (PubChem CID 145095599) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine
PubChem CID145095599
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine
SMILESCCCN(S)CC1CCC(C)C1
InChIInChI=1S/C10H21NS/c1-3-6-11(12)8-10-5-4-9(2)7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWMIVBSMEFFLERE-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine (CID 145095599) is N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine is CCCN(S)CC1CCC(C)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine?
The InChIKey is WMIVBSMEFFLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-6-11(12)8-10-5-4-9(2)7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine?
N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine has a molecular weight of 187.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine is sourced from PubChem (CID 145095599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).