N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine

C11H25NS — CID 139297860

IUPACN-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine
SMILESCC(C)CN(S)C(C(C)C)C(C)C
InChIInChI=1S/C11H25NS/c1-8(2)7-12(13)11(9(3)4)10(5)6/h8-11,13H,7H2,1-6H3
InChIKeySQGCJDHAGQYRFY-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.47
Rot. Bonds5

About N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine

N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine (PubChem CID 139297860) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine
PubChem CID139297860
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine
SMILESCC(C)CN(S)C(C(C)C)C(C)C
InChIInChI=1S/C11H25NS/c1-8(2)7-12(13)11(9(3)4)10(5)6/h8-11,13H,7H2,1-6H3
InChIKeySQGCJDHAGQYRFY-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.47
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

alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
N-(aminomethyl)-N-(2-methylpropyl)methanimidamide
CID 88959033
N-butyl-N-(2-methylpropyl)thiohydroxylamine
CID 155330596
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 61377871
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
CID 166136882
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
N-butan-2-yl-N-(2-methylpropyl)butan-2-amine
CID 87394017
N,N-ditert-butyl-2-methylpropan-1-amine
CID 18314178
N-[[bis[bis[bis(2-methylpropyl)amino]-(silylmethyl)silyl]amino]-[bis(2-methylpropyl)amino]-(silylmethyl)silyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 175762568
1-[hydroxy(2-methylpropyl)amino]ethanol
CID 139501207

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine (CID 139297860) is N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine is CC(C)CN(S)C(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine?
The InChIKey is SQGCJDHAGQYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-8(2)7-12(13)11(9(3)4)10(5)6/h8-11,13H,7H2,1-6H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine?
N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine has a molecular weight of 203.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-N-(2-methylpropyl)thiohydroxylamine is sourced from PubChem (CID 139297860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).