N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine

C11H23NO2S2 — CID 115901263

IUPACN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCSCC1CC1
InChIInChI=1S/C11H23NO2S2/c1-3-16(13,14)9-10(2)12-6-7-15-8-11-4-5-11/h10-12H,3-9H2,1-2H3
InChIKeyQQYAETNLDKKKHS-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.54
Rot. Bonds9

About N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine

N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115901263) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115901263
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCSCC1CC1
InChIInChI=1S/C11H23NO2S2/c1-3-16(13,14)9-10(2)12-6-7-15-8-11-4-5-11/h10-12H,3-9H2,1-2H3
InChIKeyQQYAETNLDKKKHS-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.54
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

N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
CID 115729286
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 115729284
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
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
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine
CID 115729270
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine (CID 115901263) is N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NCCSCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is QQYAETNLDKKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-3-16(13,14)9-10(2)12-6-7-15-8-11-4-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine?
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115901263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).