1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine

C15H23NOS — CID 107762287

IUPAC1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(SC2CCOC2C)cc1
InChIInChI=1S/C15H23NOS/c1-3-13(16)10-12-4-6-14(7-5-12)18-15-8-9-17-11(15)2/h4-7,11,13,15H,3,8-10,16H2,1-2H3
InChIKeyPAPAOZVTNYFGFF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.24
Rot. Bonds5

About 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine

1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine (PubChem CID 107762287) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
PubChem CID107762287
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(SC2CCOC2C)cc1
InChIInChI=1S/C15H23NOS/c1-3-13(16)10-12-4-6-14(7-5-12)18-15-8-9-17-11(15)2/h4-7,11,13,15H,3,8-10,16H2,1-2H3
InChIKeyPAPAOZVTNYFGFF-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
CID 107750568
N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750520
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
1-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 107748221
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521
1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine
CID 107762315
1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363
2-methyl-N-[[2-methyl-4-(2-methyloxolan-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107761312
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107751923
(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine
CID 112737230

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine (CID 107762287) is 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1ccc(SC2CCOC2C)cc1.
What is the InChIKey of 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine?
The InChIKey is PAPAOZVTNYFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-13(16)10-12-4-6-14(7-5-12)18-15-8-9-17-11(15)2/h4-7,11,13,15H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine?
1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 107762287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).