N-hydroxyhexanethioamide

C6H13NOS — CID 15073587

IUPACN-hydroxyhexanethioamide
SMILESCCCCCC(=S)NO
InChIInChI=1S/C6H13NOS/c1-2-3-4-5-6(9)7-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyNUVGQZKUHNKMEH-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.87
Rot. Bonds4

About N-hydroxyhexanethioamide

N-hydroxyhexanethioamide (PubChem CID 15073587) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-hydroxyhexanethioamide.

Molecular Properties

Compound NameN-hydroxyhexanethioamide
PubChem CID15073587
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-hydroxyhexanethioamide
SMILESCCCCCC(=S)NO
InChIInChI=1S/C6H13NOS/c1-2-3-4-5-6(9)7-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyNUVGQZKUHNKMEH-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-butylheptanethioamide
CID 88529052
N,N'-didodecylheptanedithioamide
CID 23451988
N-prop-2-ynyloctanethioamide
CID 169094147
tridecane-7-thione
CID 13433382
octadecane-9,10-dithione
CID 118647989
tricosane-12-thione
CID 175705265
3-methylidene-N-pentadecanethioylpentadecanethioamide
CID 159128183
N-hydroxytridecanamide
CID 14122613
N-cyclohexylheptanethioamide
CID 86239838
N-phenyloctanethioamide
CID 3767527
nonanethioyl chloride
CID 54550885
N-[3-(hydroxyamino)-3-oxopropyl]hexanamide
CID 21307047

Frequently Asked Questions

What is the IUPAC name of N-hydroxyhexanethioamide?
The IUPAC name of N-hydroxyhexanethioamide (CID 15073587) is N-hydroxyhexanethioamide.
What is the SMILES notation for N-hydroxyhexanethioamide?
The canonical SMILES for N-hydroxyhexanethioamide is CCCCCC(=S)NO.
What is the InChIKey of N-hydroxyhexanethioamide?
The InChIKey is NUVGQZKUHNKMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-4-5-6(9)7-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-hydroxyhexanethioamide?
N-hydroxyhexanethioamide has a molecular weight of 147.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyhexanethioamide is sourced from PubChem (CID 15073587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).