N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane

C12H27NS — CID 145163045

IUPACN-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
SMILESCC.C[C@H](CCC1CCCCC1)NS
InChIInChI=1S/C10H21NS.C2H6/c1-9(11-12)7-8-10-5-3-2-4-6-10;1-2/h9-12H,2-8H2,1H3;1-2H3/t9-;/m1./s1
InChIKeyNTMMVZCTUGQOPA-SBSPUUFOSA-N
MW217.42 g/mol
LogP4.20
Rot. Bonds4

About N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane

N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane (PubChem CID 145163045) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane.

Molecular Properties

Compound NameN-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
PubChem CID145163045
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
SMILESCC.C[C@H](CCC1CCCCC1)NS
InChIInChI=1S/C10H21NS.C2H6/c1-9(11-12)7-8-10-5-3-2-4-6-10;1-2/h9-12H,2-8H2,1H3;1-2H3/t9-;/m1./s1
InChIKeyNTMMVZCTUGQOPA-SBSPUUFOSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
(2S)-2-(4-cyclohexylbutan-2-ylamino)propan-1-ol
CID 103788986
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
1,5-dicyclohexylpentan-3-ol
CID 56981010
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
CID 115895600
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane?
The IUPAC name of N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane (CID 145163045) is N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane.
What is the SMILES notation for N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane?
The canonical SMILES for N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane is CC.C[C@H](CCC1CCCCC1)NS.
What is the InChIKey of N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane?
The InChIKey is NTMMVZCTUGQOPA-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H21NS.C2H6/c1-9(11-12)7-8-10-5-3-2-4-6-10;1-2/h9-12H,2-8H2,1H3;1-2H3/t9-;/m1./s1.
What are the key properties of N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane?
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane has a molecular weight of 217.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane is sourced from PubChem (CID 145163045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).