6-benzylsulfinyl-N-propylhexan-3-amine

C16H27NOS — CID 106807937

IUPAC6-benzylsulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)Cc1ccccc1
InChIInChI=1S/C16H27NOS/c1-3-12-17-16(4-2)11-8-13-19(18)14-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyDSAHEPPCTNGKQI-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.49
Rot. Bonds10

About 6-benzylsulfinyl-N-propylhexan-3-amine

6-benzylsulfinyl-N-propylhexan-3-amine (PubChem CID 106807937) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 6-benzylsulfinyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-benzylsulfinyl-N-propylhexan-3-amine
PubChem CID106807937
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name6-benzylsulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)Cc1ccccc1
InChIInChI=1S/C16H27NOS/c1-3-12-17-16(4-2)11-8-13-19(18)14-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyDSAHEPPCTNGKQI-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzylsulfinylhexan-3-amine
CID 106807939
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022
N-(3-benzylsulfinylpropyl)-2-methylpropan-1-amine
CID 64660306
1-[(4-chlorophenyl)methylsulfinyl]-N-propylbutan-2-amine
CID 114792213
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
N-ethyl-6-propylsulfinylhexan-3-amine
CID 106807953
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
CID 114792258
1-(2-benzylsulfinylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111763420
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
CID 106808096
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfinyl-N-propylhexan-3-amine?
The IUPAC name of 6-benzylsulfinyl-N-propylhexan-3-amine (CID 106807937) is 6-benzylsulfinyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-benzylsulfinyl-N-propylhexan-3-amine?
The canonical SMILES for 6-benzylsulfinyl-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)Cc1ccccc1.
What is the InChIKey of 6-benzylsulfinyl-N-propylhexan-3-amine?
The InChIKey is DSAHEPPCTNGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-12-17-16(4-2)11-8-13-19(18)14-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3.
What are the key properties of 6-benzylsulfinyl-N-propylhexan-3-amine?
6-benzylsulfinyl-N-propylhexan-3-amine has a molecular weight of 281.46 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfinyl-N-propylhexan-3-amine is sourced from PubChem (CID 106807937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).