2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine

C9H19NO2S — CID 103913957

IUPAC2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine
SMILESCCC1CC1NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-4-8-5-9(8)10-7(2)6-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyDDVFGMNTDXRSQC-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds5

About 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine

2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine (PubChem CID 103913957) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine
PubChem CID103913957
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine
SMILESCCC1CC1NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-4-8-5-9(8)10-7(2)6-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyDDVFGMNTDXRSQC-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine (CID 103913957) is 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine is CCC1CC1NC(C)CS(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine?
The InChIKey is DDVFGMNTDXRSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-8-5-9(8)10-7(2)6-13(3,11)12/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine?
2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 103913957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).