4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline

C16H31NS2 — CID 167209894

IUPAC4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline
SMILESCC(C)(C)c1ccc(N(S(C)(C)C)S(C)(C)C)cc1
InChIInChI=1S/C16H31NS2/c1-16(2,3)14-10-12-15(13-11-14)17(18(4,5)6)19(7,8)9/h10-13H,1-9H3
InChIKeyPYRMFHQWZBWZCJ-UHFFFAOYSA-N
MW301.57 g/mol
LogP5.01
Rot. Bonds3

About 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline

4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline (PubChem CID 167209894) has the molecular formula C16H31NS2 and a molecular weight of 301.57 g/mol. Its IUPAC name is 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline
PubChem CID167209894
Molecular FormulaC16H31NS2
Molecular Weight301.57 g/mol
Exact Mass301.19
IUPAC Name4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline
SMILESCC(C)(C)c1ccc(N(S(C)(C)C)S(C)(C)C)cc1
InChIInChI=1S/C16H31NS2/c1-16(2,3)14-10-12-15(13-11-14)17(18(4,5)6)19(7,8)9/h10-13H,1-9H3
InChIKeyPYRMFHQWZBWZCJ-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59354795
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4-(N-amino-4-tert-butylanilino)phenol
CID 150725631
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-(4-tert-butylphenoxy)methanamine
CID 170041711
4-tert-butyl-N,N-diethylaniline
CID 10632068
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
N,4-ditert-butyl-N-phenylaniline
CID 91172141
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
1,4-ditert-butylbenzene;2,2-dimethylpropane;methylsulfonylmethane;propane
CID 157161752

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline?
The IUPAC name of 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline (CID 167209894) is 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline.
What is the SMILES notation for 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline?
The canonical SMILES for 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline is CC(C)(C)c1ccc(N(S(C)(C)C)S(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline?
The InChIKey is PYRMFHQWZBWZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS2/c1-16(2,3)14-10-12-15(13-11-14)17(18(4,5)6)19(7,8)9/h10-13H,1-9H3.
What are the key properties of 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline?
4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline has a molecular weight of 301.57 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline is sourced from PubChem (CID 167209894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).