trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

C10H17N3S — CID 93257837

IUPACtrans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@H]1NCc1csnn1
InChIInChI=1S/C10H17N3S/c1-8-4-2-3-5-10(8)11-6-9-7-14-13-12-9/h7-8,10-11H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyDKPPSBRFSYTRAA-PSASIEDQSA-N
MW211.33 g/mol
LogP2.21
Rot. Bonds3

About trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 93257837) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID93257837
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Nametrans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@H]1NCc1csnn1
InChIInChI=1S/C10H17N3S/c1-8-4-2-3-5-10(8)11-6-9-7-14-13-12-9/h7-8,10-11H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyDKPPSBRFSYTRAA-PSASIEDQSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
3-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43664134
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340
N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine
CID 115689681
N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115908324
2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 115615912
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
CID 130708786
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentan-1-amine
CID 65045485
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
(3aS,4S,7aR)-2-benzyl-N-(thiadiazol-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 129374163

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (CID 93257837) is trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is C[C@@H]1CCCC[C@H]1NCc1csnn1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is DKPPSBRFSYTRAA-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-4-2-3-5-10(8)11-6-9-7-14-13-12-9/h7-8,10-11H,2-6H2,1H3/t8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 93257837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).