1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine

C11H25NO2S2 — CID 115716483

IUPAC1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CSC(C)(C)C
InChIInChI=1S/C11H25NO2S2/c1-6-16(13,14)8-7-12-10(2)9-15-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyZILJLNUPHGKEBP-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.93
Rot. Bonds7

About 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine

1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine (PubChem CID 115716483) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
PubChem CID115716483
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC Name1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CSC(C)(C)C
InChIInChI=1S/C11H25NO2S2/c1-6-16(13,14)8-7-12-10(2)9-15-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyZILJLNUPHGKEBP-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

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Related Compounds

N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706189
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
1-tert-butylsulfanyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115720979
N-(1-tert-butylsulfanylpropan-2-yl)hex-5-yn-1-amine
CID 115893719
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
1-tert-butylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 115894013
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
CID 115725661

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine (CID 115716483) is 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine is CCS(=O)(=O)CCNC(C)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine?
The InChIKey is ZILJLNUPHGKEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S2/c1-6-16(13,14)8-7-12-10(2)9-15-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine?
1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-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 1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 115716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).