6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

C17H27NO2S — CID 43539522

IUPAC6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CC(C)S(=O)(=O)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H27NO2S/c1-11(2)18-15-9-12(3)21(19,20)16-8-7-13(10-14(15)16)17(4,5)6/h7-8,10-12,15,18H,9H2,1-6H3
InChIKeyWHRLSLIYBDYQLA-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.59
Rot. Bonds2

About 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539522) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539522
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CC(C)S(=O)(=O)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H27NO2S/c1-11(2)18-15-9-12(3)21(19,20)16-8-7-13(10-14(15)16)17(4,5)6/h7-8,10-12,15,18H,9H2,1-6H3
InChIKeyWHRLSLIYBDYQLA-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43538964
6-bromo-N-cyclopropyl-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539638
6-tert-butyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287920
6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539504
7-tert-butyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43155239
6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 58095516
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
6-tert-butyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 71095116
6-tert-butyl-2H-thiochromene 1,1-dioxide
CID 58095540
7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64686570
N,4-ditert-butyl-2-cyclopropylaniline
CID 130287728
bis(4-tert-butyl-2-cyclopropylphenyl)methanone
CID 140968414

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539522) is 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is CC(C)NC1CC(C)S(=O)(=O)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WHRLSLIYBDYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-11(2)18-15-9-12(3)21(19,20)16-8-7-13(10-14(15)16)17(4,5)6/h7-8,10-12,15,18H,9H2,1-6H3.
What are the key properties of 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 309.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).