N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine

C16H27NOS — CID 64651076

IUPACN-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)CC)c1ccccc1C
InChIInChI=1S/C16H27NOS/c1-5-11-17-16(12-19(18)14(4)6-2)15-10-8-7-9-13(15)3/h7-10,14,16-17H,5-6,11-12H2,1-4H3
InChIKeyNGVHZJQELUBCMC-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.58
Rot. Bonds8

About N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 64651076) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID64651076
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)CC)c1ccccc1C
InChIInChI=1S/C16H27NOS/c1-5-11-17-16(12-19(18)14(4)6-2)15-10-8-7-9-13(15)3/h7-10,14,16-17H,5-6,11-12H2,1-4H3
InChIKeyNGVHZJQELUBCMC-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-butan-2-ylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651695
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethyl]propan-1-amine
CID 107759461
N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659648
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
N-[2-(3-methylbutylsulfonyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107760339
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607

Frequently Asked Questions

What is the IUPAC name of N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine (CID 64651076) is N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(CS(=O)C(C)CC)c1ccccc1C.
What is the InChIKey of N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is NGVHZJQELUBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-11-17-16(12-19(18)14(4)6-2)15-10-8-7-9-13(15)3/h7-10,14,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64651076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).