methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline

C15H23N3OS — CID 158813750

IUPACmethane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline
SMILESC.CCCn1cnc(C)c1C[S@@](=O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3OS.CH4/c1-3-8-17-10-16-11(2)14(17)9-19(18)13-6-4-12(15)5-7-13;/h4-7,10H,3,8-9,15H2,1-2H3;1H4/t19-;/m1./s1
InChIKeyIUZVKBLBMCWXNQ-FSRHSHDFSA-N
MW293.44 g/mol
LogP3.13
Rot. Bonds5

About methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline

methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline (PubChem CID 158813750) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline.

Molecular Properties

Compound Namemethane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline
PubChem CID158813750
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Namemethane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline
SMILESC.CCCn1cnc(C)c1C[S@@](=O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3OS.CH4/c1-3-8-17-10-16-11(2)14(17)9-19(18)13-6-4-12(15)5-7-13;/h4-7,10H,3,8-9,15H2,1-2H3;1H4/t19-;/m1./s1
InChIKeyIUZVKBLBMCWXNQ-FSRHSHDFSA-N
XLogP3.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-butyl-5-methylimidazol-4-yl)methylsulfinyl]aniline
CID 163711742
4-[(5-methyl-1-propylimidazol-4-yl)methylsulfinyl]aniline
CID 139373221
4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]aniline
CID 131632262
4-[(3-ethyl-5-methylimidazol-4-yl)methylsulfanyl]aniline;methane
CID 161438226
(2R,3R)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid;4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]aniline;hydrate
CID 131726655
(2R,3R)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid;4-[(3-propylimidazol-4-yl)methylsulfinyl]aniline;hydrate
CID 131726866
4-[(3-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 112651202
3-propylbenzimidazol-5-amine
CID 18379870
5-iodo-6-methyl-3-propylpyrimidin-4-one
CID 66343113
N-methyl-4-[(3-propylimidazol-4-yl)methylsulfinyl]aniline
CID 138665669
3-[(5E)-8-[4-(2-butoxyethoxy)phenyl]-5-[[4-[(S)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]phenyl]carbamoyl]-3,4-dihydro-2H-1-benzazocin-1-yl]-2,2-dimethylpropanoic acid
CID 139373225
5-amino-3-propylimidazole-4-carboxamide
CID 18360499

Frequently Asked Questions

What is the IUPAC name of methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline?
The IUPAC name of methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline (CID 158813750) is methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline.
What is the SMILES notation for methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline?
The canonical SMILES for methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline is C.CCCn1cnc(C)c1C[S@@](=O)c1ccc(N)cc1.
What is the InChIKey of methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline?
The InChIKey is IUZVKBLBMCWXNQ-FSRHSHDFSA-N. The full InChI is InChI=1S/C14H19N3OS.CH4/c1-3-8-17-10-16-11(2)14(17)9-19(18)13-6-4-12(15)5-7-13;/h4-7,10H,3,8-9,15H2,1-2H3;1H4/t19-;/m1./s1.
What are the key properties of methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline?
methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline has a molecular weight of 293.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[(R)-(5-methyl-3-propylimidazol-4-yl)methylsulfinyl]aniline is sourced from PubChem (CID 158813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).