6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C16H23NO2S — CID 43539504

IUPAC6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(NC1CC1)CCS2(=O)=O
InChIInChI=1S/C16H23NO2S/c1-16(2,3)11-4-7-15-13(10-11)14(17-12-5-6-12)8-9-20(15,18)19/h4,7,10,12,14,17H,5-6,8-9H2,1-3H3
InChIKeyNAYPSKJWYHRTSG-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.95
Rot. Bonds2

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

6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539504) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539504
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(NC1CC1)CCS2(=O)=O
InChIInChI=1S/C16H23NO2S/c1-16(2,3)11-4-7-15-13(10-11)14(17-12-5-6-12)8-9-20(15,18)19/h4,7,10,12,14,17H,5-6,8-9H2,1-3H3
InChIKeyNAYPSKJWYHRTSG-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-tert-butyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43155239
N-(1,1-dioxothiolan-3-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43757070
6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 58095516
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 62360131
N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43539229
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
CID 104925276
6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539522
bis(4-tert-butyl-2-cyclopropylphenyl)methanone
CID 140968414
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539369
N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63995270

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43539504) is 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CC(C)(C)c1ccc2c(c1)C(NC1CC1)CCS2(=O)=O.
What is the InChIKey of 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is NAYPSKJWYHRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-16(2,3)11-4-7-15-13(10-11)14(17-12-5-6-12)8-9-20(15,18)19/h4,7,10,12,14,17H,5-6,8-9H2,1-3H3.
What are the key properties of 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.43 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-cyclopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).