N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide

C11H18N4OS — CID 113283690

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cnsn1
InChIInChI=1S/C11H18N4OS/c1-8-4-2-3-5-11(8,7-12)14-10(16)9-6-13-17-15-9/h6,8H,2-5,7,12H2,1H3,(H,14,16)
InChIKeyUDLUZIHUNUDDHE-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 113283690) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID113283690
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cnsn1
InChIInChI=1S/C11H18N4OS/c1-8-4-2-3-5-11(8,7-12)14-10(16)9-6-13-17-15-9/h6,8H,2-5,7,12H2,1H3,(H,14,16)
InChIKeyUDLUZIHUNUDDHE-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)cyclopentyl]-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 119566537
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 115308388
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661
N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
CID 115308660
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide (CID 113283690) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide is CC1CCCCC1(CN)NC(=O)c1cnsn1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is UDLUZIHUNUDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-4-2-3-5-11(8,7-12)14-10(16)9-6-13-17-15-9/h6,8H,2-5,7,12H2,1H3,(H,14,16).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 113283690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).