(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane

C18H29NS — CID 143901623

IUPAC(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCc1cccc2c1ccn2S(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H29NS/c1-13(2)20(14(3)4,15(5)6)19-12-11-17-16(7)9-8-10-18(17)19/h8-15H,1-7H3
InChIKeyVIRGYZISEGRXKN-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.74
Rot. Bonds4

About (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane

(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane (PubChem CID 143901623) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane
PubChem CID143901623
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCc1cccc2c1ccn2S(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H29NS/c1-13(2)20(14(3)4,15(5)6)19-12-11-17-16(7)9-8-10-18(17)19/h8-15H,1-7H3
InChIKeyVIRGYZISEGRXKN-UHFFFAOYSA-N
XLogP5.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane
CID 167021546
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
4-methyl-1-phenylindole
CID 138964714
2-(4-methylindol-1-yl)propanehydrazide
CID 63577949
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
trifluoro-[(4-methylindol-1-yl)methyl]boranuide
CID 63703617
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
4-methyl-1-propan-2-ylindazole
CID 139297350
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516

Frequently Asked Questions

What is the IUPAC name of (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The IUPAC name of (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane (CID 143901623) is (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The canonical SMILES for (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane is Cc1cccc2c1ccn2S(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The InChIKey is VIRGYZISEGRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-13(2)20(14(3)4,15(5)6)19-12-11-17-16(7)9-8-10-18(17)19/h8-15H,1-7H3.
What are the key properties of (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane?
(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane has a molecular weight of 291.50 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 143901623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).