N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine

C12H23NO2S — CID 115901550

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1(C2CC2)CC1
InChIInChI=1S/C12H23NO2S/c1-3-16(14,15)8-10(2)13-9-12(6-7-12)11-4-5-11/h10-11,13H,3-9H2,1-2H3
InChIKeyCMXODIOJRIETIS-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds7

About N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115901550) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115901550
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1(C2CC2)CC1
InChIInChI=1S/C12H23NO2S/c1-3-16(14,15)8-10(2)13-9-12(6-7-12)11-4-5-11/h10-11,13H,3-9H2,1-2H3
InChIKeyCMXODIOJRIETIS-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine (CID 115901550) is N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NCC1(C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is CMXODIOJRIETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-3-16(14,15)8-10(2)13-9-12(6-7-12)11-4-5-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115901550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).