1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine

C10H23NO2S — CID 64659989

IUPAC1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)CCCOC
InChIInChI=1S/C10H23NO2S/c1-4-6-11-10(2)9-14(12)8-5-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeyLLLVPSAZDJDXGX-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.16
Rot. Bonds9

About 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine

1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine (PubChem CID 64659989) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
PubChem CID64659989
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)CCCOC
InChIInChI=1S/C10H23NO2S/c1-4-6-11-10(2)9-14(12)8-5-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeyLLLVPSAZDJDXGX-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
CID 107508809
3,3-dimethyl-1-pentylsulfinyl-N-propylbutan-2-amine
CID 107758876
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine (CID 64659989) is 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine is CCCNC(C)CS(=O)CCCOC.
What is the InChIKey of 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine?
The InChIKey is LLLVPSAZDJDXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-6-11-10(2)9-14(12)8-5-7-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine?
1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 64659989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).