1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine

C12H21N3O2S — CID 43614829

IUPAC1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-9-12(10(2)15(3)14-9)8-13-11-4-6-18(16,17)7-5-11/h11,13H,4-8H2,1-3H3
InChIKeyLORMFASNTLDYHZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.70
Rot. Bonds3

About 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine

1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine (PubChem CID 43614829) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine
PubChem CID43614829
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-9-12(10(2)15(3)14-9)8-13-11-4-6-18(16,17)7-5-11/h11,13H,4-8H2,1-3H3
InChIKeyLORMFASNTLDYHZ-UHFFFAOYSA-N
XLogP0.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-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

1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 103614691
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]cyclobutanamine
CID 62416706
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 63359786
N-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 62697401
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337709
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47271585
3-(2-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79003721
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
2,6-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83007008
1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 84596477
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903000

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine?
The IUPAC name of 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine (CID 43614829) is 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine is Cc1nn(C)c(C)c1CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine?
The InChIKey is LORMFASNTLDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-12(10(2)15(3)14-9)8-13-11-4-6-18(16,17)7-5-11/h11,13H,4-8H2,1-3H3.
What are the key properties of 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine?
1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine has a molecular weight of 271.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine is sourced from PubChem (CID 43614829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).