N-hexan-2-yl-N-methylthiohydroxylamine

C7H17NS — CID 142548768

IUPACN-hexan-2-yl-N-methylthiohydroxylamine
SMILESCCCCC(C)N(C)S
InChIInChI=1S/C7H17NS/c1-4-5-6-7(2)8(3)9/h7,9H,4-6H2,1-3H3
InChIKeyWDFWDIYEEBZYKE-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.34
Rot. Bonds4

About N-hexan-2-yl-N-methylthiohydroxylamine

N-hexan-2-yl-N-methylthiohydroxylamine (PubChem CID 142548768) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-hexan-2-yl-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-hexan-2-yl-N-methylthiohydroxylamine
PubChem CID142548768
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-hexan-2-yl-N-methylthiohydroxylamine
SMILESCCCCC(C)N(C)S
InChIInChI=1S/C7H17NS/c1-4-5-6-7(2)8(3)9/h7,9H,4-6H2,1-3H3
InChIKeyWDFWDIYEEBZYKE-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.34
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-butan-2-yl-N-methylhexan-2-amine
CID 146247078
N-ethynyl-N-methylhexan-2-amine
CID 174450179
hexan-2-yl(methyl)cyanamide
CID 130581220
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
tributyl(methyl)phosphanium
CID 2760115
2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
N-ethyl-N-propan-2-ylhexan-2-amine
CID 87847746
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine
CID 170318713
2-methylhexane;dihydrate
CID 155319003
tributyl(methyl)phosphanium iodide
CID 2760114

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-N-methylthiohydroxylamine?
The IUPAC name of N-hexan-2-yl-N-methylthiohydroxylamine (CID 142548768) is N-hexan-2-yl-N-methylthiohydroxylamine.
What is the SMILES notation for N-hexan-2-yl-N-methylthiohydroxylamine?
The canonical SMILES for N-hexan-2-yl-N-methylthiohydroxylamine is CCCCC(C)N(C)S.
What is the InChIKey of N-hexan-2-yl-N-methylthiohydroxylamine?
The InChIKey is WDFWDIYEEBZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-5-6-7(2)8(3)9/h7,9H,4-6H2,1-3H3.
What are the key properties of N-hexan-2-yl-N-methylthiohydroxylamine?
N-hexan-2-yl-N-methylthiohydroxylamine has a molecular weight of 147.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-N-methylthiohydroxylamine is sourced from PubChem (CID 142548768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).