N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine

C12H21N3O2S2 — CID 105168767

IUPACN-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S2/c1-3-13-12(11-8-18-15-14-11)9-5-4-6-10(7-9)19(2,16)17/h8-10,12-13H,3-7H2,1-2H3
InChIKeyYQOCMWJEAMVOBA-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.79
Rot. Bonds5

About N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine

N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105168767) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105168767
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S2/c1-3-13-12(11-8-18-15-14-11)9-5-4-6-10(7-9)19(2,16)17/h8-10,12-13H,3-7H2,1-2H3
InChIKeyYQOCMWJEAMVOBA-UHFFFAOYSA-N
XLogP1.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine 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

2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 105014208
(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methanone
CID 105117717
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine
CID 105014322
N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014334
N-[(1-methylcyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]ethanamine
CID 106830384
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105176237
N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
CID 106692659
[(3-methylsulfonylcyclohexyl)-pyrazin-2-ylmethyl]hydrazine
CID 105203403
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine (CID 105168767) is N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is YQOCMWJEAMVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-13-12(11-8-18-15-14-11)9-5-4-6-10(7-9)19(2,16)17/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine?
N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 303.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105168767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).