3-(cyclobutylmethylsulfinyl)propan-1-amine

C8H17NOS — CID 58684946

IUPAC3-(cyclobutylmethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC1CCC1
InChIInChI=1S/C8H17NOS/c9-5-2-6-11(10)7-8-3-1-4-8/h8H,1-7,9H2
InChIKeyKMELAUCBYLALSG-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.88
Rot. Bonds5

About 3-(cyclobutylmethylsulfinyl)propan-1-amine

3-(cyclobutylmethylsulfinyl)propan-1-amine (PubChem CID 58684946) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-(cyclobutylmethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclobutylmethylsulfinyl)propan-1-amine
PubChem CID58684946
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-(cyclobutylmethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC1CCC1
InChIInChI=1S/C8H17NOS/c9-5-2-6-11(10)7-8-3-1-4-8/h8H,1-7,9H2
InChIKeyKMELAUCBYLALSG-UHFFFAOYSA-N
XLogP0.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(cyclobutylmethylsulfinyl)propan-1-amine (CID 58684946) is 3-(cyclobutylmethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(cyclobutylmethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(cyclobutylmethylsulfinyl)propan-1-amine is NCCCS(=O)CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylsulfinyl)propan-1-amine?
The InChIKey is KMELAUCBYLALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c9-5-2-6-11(10)7-8-3-1-4-8/h8H,1-7,9H2.
What are the key properties of 3-(cyclobutylmethylsulfinyl)propan-1-amine?
3-(cyclobutylmethylsulfinyl)propan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).