N-heptan-3-ylthiohydroxylamine

C7H17NS — CID 89209295

IUPACN-heptan-3-ylthiohydroxylamine
SMILESCCCCC(CC)NS
InChIInChI=1S/C7H17NS/c1-3-5-6-7(4-2)8-9/h7-9H,3-6H2,1-2H3
InChIKeyZRFMCULRIGTPAG-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.39
Rot. Bonds5

About N-heptan-3-ylthiohydroxylamine

N-heptan-3-ylthiohydroxylamine (PubChem CID 89209295) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-heptan-3-ylthiohydroxylamine.

Molecular Properties

Compound NameN-heptan-3-ylthiohydroxylamine
PubChem CID89209295
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-heptan-3-ylthiohydroxylamine
SMILESCCCCC(CC)NS
InChIInChI=1S/C7H17NS/c1-3-5-6-7(4-2)8-9/h7-9H,3-6H2,1-2H3
InChIKeyZRFMCULRIGTPAG-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.39
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-nonan-5-ylnonan-5-amine
CID 86205180
N-pentylheptan-3-amine
CID 63944300
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-prop-2-enylheptan-3-amine
CID 63946261
(2S)-2-(sulfanylamino)hexanamide
CID 142110567
N-pent-1-yn-3-ylheptan-3-amine
CID 106224922
N-ethylnonan-3-amine
CID 60996683
pentadecan-3-ylhydrazine
CID 105200968
tridecan-3-ylhydrazine
CID 105201157

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-ylthiohydroxylamine?
The IUPAC name of N-heptan-3-ylthiohydroxylamine (CID 89209295) is N-heptan-3-ylthiohydroxylamine.
What is the SMILES notation for N-heptan-3-ylthiohydroxylamine?
The canonical SMILES for N-heptan-3-ylthiohydroxylamine is CCCCC(CC)NS.
What is the InChIKey of N-heptan-3-ylthiohydroxylamine?
The InChIKey is ZRFMCULRIGTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-3-5-6-7(4-2)8-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-heptan-3-ylthiohydroxylamine?
N-heptan-3-ylthiohydroxylamine has a molecular weight of 147.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-ylthiohydroxylamine is sourced from PubChem (CID 89209295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).