N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine

C9H23NO2S — CID 177155669

IUPACN-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)S(O)(O)CC(C)C
InChIInChI=1S/C9H23NO2S/c1-8(2)6-10(5)13(11,12)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3
InChIKeyWANIRQOFWILGPH-UHFFFAOYSA-N
MW209.35 g/mol
LogP2.90
Rot. Bonds5

About N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine

N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine (PubChem CID 177155669) has the molecular formula C9H23NO2S and a molecular weight of 209.35 g/mol. Its IUPAC name is N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine
PubChem CID177155669
Molecular FormulaC9H23NO2S
Molecular Weight209.35 g/mol
Exact Mass209.14
IUPAC NameN-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)S(O)(O)CC(C)C
InChIInChI=1S/C9H23NO2S/c1-8(2)6-10(5)13(11,12)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3
InChIKeyWANIRQOFWILGPH-UHFFFAOYSA-N
XLogP2.90
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trihydroxy(2-methylpropyl)-λ4-sulfane
CID 141378076
N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine
CID 166035215
ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
CID 58695816
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
3-[methyl(2-methylpropyl)amino]-2-sulfopropanoic acid
CID 88830332
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
N-(dimethylsulfamoyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 78877752
1-[hydroxy(2-methylpropyl)amino]ethanol
CID 139501207
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine (CID 177155669) is N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)S(O)(O)CC(C)C.
What is the InChIKey of N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine?
The InChIKey is WANIRQOFWILGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO2S/c1-8(2)6-10(5)13(11,12)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine?
N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine has a molecular weight of 209.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 177155669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).