N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine

C14H23N3OS — CID 71873044

IUPACN-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine
SMILESCn1cc(C2OCCC2CNC2CCSCC2)cn1
InChIInChI=1S/C14H23N3OS/c1-17-10-12(9-16-17)14-11(2-5-18-14)8-15-13-3-6-19-7-4-13/h9-11,13-15H,2-8H2,1H3
InChIKeyCDPJRLBBJYIPRA-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.98
Rot. Bonds4

About N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine

N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine (PubChem CID 71873044) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine
PubChem CID71873044
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine
SMILESCn1cc(C2OCCC2CNC2CCSCC2)cn1
InChIInChI=1S/C14H23N3OS/c1-17-10-12(9-16-17)14-11(2-5-18-14)8-15-13-3-6-19-7-4-13/h9-11,13-15H,2-8H2,1H3
InChIKeyCDPJRLBBJYIPRA-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-methylpyrazol-4-yl)oxolan-3-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

rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
2-(Fluoromethyl)-6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazine
CID 90331760
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
CID 129001184
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine
CID 122155808
rac-(2R,3S)-2-[1-(cyclopropylmethyl)-1H-pyrazol-4-yl]oxolan-3-amine
CID 122164222
6-(1-Methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
CID 90331575
1-Methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
CID 168887054
[2-(1-Cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-lambda4-sulfane
CID 168887149
[2-(1-Cyclopropylpyrazol-4-yl)oxan-4-yl]methanethiol
CID 168887341
1-Cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
CID 168887767
1-Methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
CID 170182274

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine (CID 71873044) is N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine is Cn1cc(C2OCCC2CNC2CCSCC2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine?
The InChIKey is CDPJRLBBJYIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-17-10-12(9-16-17)14-11(2-5-18-14)8-15-13-3-6-19-7-4-13/h9-11,13-15H,2-8H2,1H3.
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine?
N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine has a molecular weight of 281.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine is sourced from PubChem (CID 71873044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).