6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine

C16H27NOS — CID 106808022

IUPAC6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)c1cccc(C)c1
InChIInChI=1S/C16H27NOS/c1-4-11-17-15(5-2)9-7-12-19(18)16-10-6-8-14(3)13-16/h6,8,10,13,15,17H,4-5,7,9,11-12H2,1-3H3
InChIKeyXBIASNPFUKYBQH-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.66
Rot. Bonds9

About 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine

6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine (PubChem CID 106808022) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
PubChem CID106808022
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)c1cccc(C)c1
InChIInChI=1S/C16H27NOS/c1-4-11-17-15(5-2)9-7-12-19(18)16-10-6-8-14(3)13-16/h6,8,10,13,15,17H,4-5,7,9,11-12H2,1-3H3
InChIKeyXBIASNPFUKYBQH-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
CID 106808043
6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
4-(3-methylphenyl)sulfinylbutan-1-amine
CID 81333367
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine?
The IUPAC name of 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine (CID 106808022) is 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)c1cccc(C)c1.
What is the InChIKey of 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine?
The InChIKey is XBIASNPFUKYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-11-17-15(5-2)9-7-12-19(18)16-10-6-8-14(3)13-16/h6,8,10,13,15,17H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine?
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine has a molecular weight of 281.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine is sourced from PubChem (CID 106808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).