2-butylsulfinyl-1-cyclopropyl-N-methylethanamine

C10H21NOS — CID 64653724

IUPAC2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
SMILESCCCCS(=O)CC(NC)C1CC1
InChIInChI=1S/C10H21NOS/c1-3-4-7-13(12)8-10(11-2)9-5-6-9/h9-11H,3-8H2,1-2H3
InChIKeyYQDOBWYKMYZRKL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.53
Rot. Bonds7

About 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine

2-butylsulfinyl-1-cyclopropyl-N-methylethanamine (PubChem CID 64653724) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
PubChem CID64653724
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
SMILESCCCCS(=O)CC(NC)C1CC1
InChIInChI=1S/C10H21NOS/c1-3-4-7-13(12)8-10(11-2)9-5-6-9/h9-11H,3-8H2,1-2H3
InChIKeyYQDOBWYKMYZRKL-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine (CID 64653724) is 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine is CCCCS(=O)CC(NC)C1CC1.
What is the InChIKey of 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine?
The InChIKey is YQDOBWYKMYZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-4-7-13(12)8-10(11-2)9-5-6-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine?
2-butylsulfinyl-1-cyclopropyl-N-methylethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 64653724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).