N-(cyclopropylmethyl)-2-methylsulfinylethanamine

C7H15NOS — CID 115632660

IUPACN-(cyclopropylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CC1
InChIInChI=1S/C7H15NOS/c1-10(9)5-4-8-6-7-2-3-7/h7-8H,2-6H2,1H3
InChIKeyBOLFOEPCZZPELY-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.36
Rot. Bonds5

About N-(cyclopropylmethyl)-2-methylsulfinylethanamine

N-(cyclopropylmethyl)-2-methylsulfinylethanamine (PubChem CID 115632660) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methylsulfinylethanamine
PubChem CID115632660
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(cyclopropylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CC1
InChIInChI=1S/C7H15NOS/c1-10(9)5-4-8-6-7-2-3-7/h7-8H,2-6H2,1H3
InChIKeyBOLFOEPCZZPELY-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methylsulfinylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-methylsulfinylethanamine (CID 115632660) is N-(cyclopropylmethyl)-2-methylsulfinylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methylsulfinylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methylsulfinylethanamine is CS(=O)CCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methylsulfinylethanamine?
The InChIKey is BOLFOEPCZZPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10(9)5-4-8-6-7-2-3-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-methylsulfinylethanamine?
N-(cyclopropylmethyl)-2-methylsulfinylethanamine has a molecular weight of 161.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methylsulfinylethanamine is sourced from PubChem (CID 115632660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).