N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine

C8H15NO2S — CID 62596580

IUPACN-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine
SMILESCS(=O)(=O)C1(CNC2CC2)CC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)8(4-5-8)6-9-7-2-3-7/h7,9H,2-6H2,1H3
InChIKeyGTUQLAKMLFBLLN-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.32
Rot. Bonds4

About N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine

N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine (PubChem CID 62596580) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine
PubChem CID62596580
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine
SMILESCS(=O)(=O)C1(CNC2CC2)CC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)8(4-5-8)6-9-7-2-3-7/h7,9H,2-6H2,1H3
InChIKeyGTUQLAKMLFBLLN-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine (CID 62596580) is N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine is CS(=O)(=O)C1(CNC2CC2)CC1.
What is the InChIKey of N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine?
The InChIKey is GTUQLAKMLFBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)8(4-5-8)6-9-7-2-3-7/h7,9H,2-6H2,1H3.
What are the key properties of N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine?
N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine has a molecular weight of 189.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine is sourced from PubChem (CID 62596580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).