N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

C9H15N3OS — CID 165342382

IUPACN-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc([C@]2(C)CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8-11-7(6-10-2)13-12-8/h10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyTWNDIKPRDPIUGK-VIFPVBQESA-N
MW213.31 g/mol
LogP1.53
Rot. Bonds3

About N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 165342382) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID165342382
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc([C@]2(C)CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8-11-7(6-10-2)13-12-8/h10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyTWNDIKPRDPIUGK-VIFPVBQESA-N
XLogP1.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine 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-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 130642311
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
N-[[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 81451470
5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 81450171
N-[[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 81450585
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
CID 130664354
3-(1-chlorobutyl)-5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole
CID 103096020
2-(chloromethyl)-5-(2-methylthiolan-2-yl)-1,3,4-oxadiazole
CID 81452666
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104693275

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (CID 165342382) is N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc([C@]2(C)CCCS2)no1.
What is the InChIKey of N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is TWNDIKPRDPIUGK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8-11-7(6-10-2)13-12-8/h10H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 165342382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).