6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine

C15H25NO2S — CID 83926961

IUPAC6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-4-14(16)9-5-7-13-8-6-10-15(11-13)19(17,18)12(2)3/h6,8,10-12,14H,4-5,7,9,16H2,1-3H3
InChIKeyLMOBERVPYNUDHI-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.93
Rot. Bonds7

About 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine

6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine (PubChem CID 83926961) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine
PubChem CID83926961
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-4-14(16)9-5-7-13-8-6-10-15(11-13)19(17,18)12(2)3/h6,8,10-12,14H,4-5,7,9,16H2,1-3H3
InChIKeyLMOBERVPYNUDHI-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylsulfonylphenyl)pentan-2-amine
CID 83926465
1-hex-3-ynyl-3-propan-2-ylsulfonylbenzene
CID 83926978
5-(3-propan-2-ylsulfonylphenyl)heptan-2-amine
CID 83926965
3-[(dimethylamino)methyl]benzenesulfonamide;1-phenylpentan-3-amine
CID 158753269
3-ethyl-1-[(3-propan-2-ylsulfonylphenyl)methyl]azetidine
CID 167136362
3-nonacosylbenzenesulfonic acid
CID 101306363
3-henicosylbenzenesulfonic acid
CID 101306236
3-nonylbenzenesulfonic acid
CID 14941614
2-(aminomethyl)-3-methyl-4-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926926
1-(3-bromophenyl)heptan-4-amine
CID 64504358
sodium 3-pentatriacontylbenzenesulfonate
CID 101306469
potassium 3-hentetracontylbenzenesulfonate
CID 101306573

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine?
The IUPAC name of 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine (CID 83926961) is 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine.
What is the SMILES notation for 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine?
The canonical SMILES for 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine is CCC(N)CCCc1cccc(S(=O)(=O)C(C)C)c1.
What is the InChIKey of 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine?
The InChIKey is LMOBERVPYNUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-14(16)9-5-7-13-8-6-10-15(11-13)19(17,18)12(2)3/h6,8,10-12,14H,4-5,7,9,16H2,1-3H3.
What are the key properties of 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine?
6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine has a molecular weight of 283.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine is sourced from PubChem (CID 83926961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).