(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite

C10H18INS — CID 144908624

IUPAC(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite
SMILESC=C(CCC1CCCCC1)NSI
InChIInChI=1S/C10H18INS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h10,12H,1-8H2
InChIKeyFLGQYYCZJMFWAR-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.45
Rot. Bonds5

About (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite

(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite (PubChem CID 144908624) has the molecular formula C10H18INS and a molecular weight of 311.23 g/mol. Its IUPAC name is (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite.

Molecular Properties

Compound Name(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite
PubChem CID144908624
Molecular FormulaC10H18INS
Molecular Weight311.23 g/mol
Exact Mass311.02
IUPAC Name(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite
SMILESC=C(CCC1CCCCC1)NSI
InChIInChI=1S/C10H18INS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h10,12H,1-8H2
InChIKeyFLGQYYCZJMFWAR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine
CID 142268186
[(Z)-6-cyclohexyl-3,4-difluorohex-3-enyl]cyclohexane
CID 101427944
methyl 3-cyclopentylpropanedithioate
CID 163390826
5-chlorohex-5-enylcyclohexane
CID 174971012
N-(2-cyclohexylethyl)prop-1-en-2-amine
CID 143355441
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
1,5-dicyclohexylpentan-3-ol
CID 56981010
N-(2-bromoprop-2-enyl)-3-cyclopentylpropanamide
CID 115594621
3-cyclopentyl-N-(2-methylprop-2-enyl)propanamide
CID 91695995

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite?
The IUPAC name of (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite (CID 144908624) is (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite.
What is the SMILES notation for (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite?
The canonical SMILES for (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite is C=C(CCC1CCCCC1)NSI.
What is the InChIKey of (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite?
The InChIKey is FLGQYYCZJMFWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h10,12H,1-8H2.
What are the key properties of (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite?
(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite has a molecular weight of 311.23 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite is sourced from PubChem (CID 144908624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).