N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine

C10H19NO2S — CID 66431988

IUPACN-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine
SMILESCC1CCC1(CNC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-8-5-6-10(8,14(2,12)13)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyGOSMJSXTYCXERH-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.95
Rot. Bonds4

About N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine

N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine (PubChem CID 66431988) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine
PubChem CID66431988
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine
SMILESCC1CCC1(CNC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-8-5-6-10(8,14(2,12)13)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyGOSMJSXTYCXERH-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine (CID 66431988) is N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine is CC1CCC1(CNC1CC1)S(C)(=O)=O.
What is the InChIKey of N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine?
The InChIKey is GOSMJSXTYCXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8-5-6-10(8,14(2,12)13)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine?
N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine has a molecular weight of 217.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-methylsulfonylcyclobutyl)methyl]cyclopropanamine is sourced from PubChem (CID 66431988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).