1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine

C12H25NO2S — CID 107759055

IUPAC1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)C(C)C(C)C)C1CC1
InChIInChI=1S/C12H25NO2S/c1-5-13-12(11-6-7-11)8-16(14,15)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyYGXPSQRKAVNDSB-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.83
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine

1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine (PubChem CID 107759055) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
PubChem CID107759055
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)C(C)C(C)C)C1CC1
InChIInChI=1S/C12H25NO2S/c1-5-13-12(11-6-7-11)8-16(14,15)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyYGXPSQRKAVNDSB-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
CID 64675598
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759153
1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine
CID 114980816
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine (CID 107759055) is 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine is CCNC(CS(=O)(=O)C(C)C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The InChIKey is YGXPSQRKAVNDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-13-12(11-6-7-11)8-16(14,15)10(4)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine is sourced from PubChem (CID 107759055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).