N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine

C11H25NO2S2 — CID 115901279

IUPACN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCSC(C)(C)C
InChIInChI=1S/C11H25NO2S2/c1-6-16(13,14)9-10(2)12-7-8-15-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyWDMZDNIHBHUBKR-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.93
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine

N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine (PubChem CID 115901279) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
PubChem CID115901279
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC NameN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCSC(C)(C)C
InChIInChI=1S/C11H25NO2S2/c1-6-16(13,14)9-10(2)12-7-8-15-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyWDMZDNIHBHUBKR-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
N-(2-tert-butylsulfanylethyl)pentan-3-amine
CID 62576921
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115901263
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521
N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
CID 113350885
1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706189
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine (CID 115901279) is N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NCCSC(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine?
The InChIKey is WDMZDNIHBHUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S2/c1-6-16(13,14)9-10(2)12-7-8-15-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine?
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115901279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).