S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine

C10H21NS — CID 146361099

IUPACS-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
SMILESC=CC[C@H](C)[C@@H](CC(C)C)SN
InChIInChI=1S/C10H21NS/c1-5-6-9(4)10(12-11)7-8(2)3/h5,8-10H,1,6-7,11H2,2-4H3/t9-,10+/m0/s1
InChIKeyDYHQZGSWPAXNME-VHSXEESVSA-N
MW187.35 g/mol
LogP3.22
Rot. Bonds6

About S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine

S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine (PubChem CID 146361099) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
PubChem CID146361099
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameS-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
SMILESC=CC[C@H](C)[C@@H](CC(C)C)SN
InChIInChI=1S/C10H21NS/c1-5-6-9(4)10(12-11)7-8(2)3/h5,8-10H,1,6-7,11H2,2-4H3/t9-,10+/m0/s1
InChIKeyDYHQZGSWPAXNME-VHSXEESVSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S)-6-methylhept-1-en-4-amine
CID 55284878
5-(bromomethyl)-4,7-dimethyloct-1-ene
CID 165445728
S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
CID 146361058
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
CID 115714778
but-1-ene;4-methylpent-1-ene
CID 23001909
3,4-dimethylhept-6-en-2-amine
CID 131966570
(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane
CID 155281274
CID 174149816
CID 174149816
5-bromo-4-methylhex-1-ene
CID 78976582
4-(2-methylpropyl)hepta-1,6-dien-2-amine
CID 138535342
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
6-methyl-N-propan-2-ylhept-1-en-4-amine
CID 129015544

Frequently Asked Questions

What is the IUPAC name of S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine?
The IUPAC name of S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine (CID 146361099) is S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine.
What is the SMILES notation for S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine?
The canonical SMILES for S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine is C=CC[C@H](C)[C@@H](CC(C)C)SN.
What is the InChIKey of S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine?
The InChIKey is DYHQZGSWPAXNME-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-9(4)10(12-11)7-8(2)3/h5,8-10H,1,6-7,11H2,2-4H3/t9-,10+/m0/s1.
What are the key properties of S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine?
S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine has a molecular weight of 187.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine is sourced from PubChem (CID 146361099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).