2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide

C13H19N3O2S — CID 115437776

IUPAC2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
SMILESNCC1(C(=O)Nc2sccc2C(N)=O)CCCCC1
InChIInChI=1S/C13H19N3O2S/c14-8-13(5-2-1-3-6-13)12(18)16-11-9(10(15)17)4-7-19-11/h4,7H,1-3,5-6,8,14H2,(H2,15,17)(H,16,18)
InChIKeyPRXHRDJCYPEPCT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.69
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide

2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide (PubChem CID 115437776) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
PubChem CID115437776
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
SMILESNCC1(C(=O)Nc2sccc2C(N)=O)CCCCC1
InChIInChI=1S/C13H19N3O2S/c14-8-13(5-2-1-3-6-13)12(18)16-11-9(10(15)17)4-7-19-11/h4,7H,1-3,5-6,8,14H2,(H2,15,17)(H,16,18)
InChIKeyPRXHRDJCYPEPCT-UHFFFAOYSA-N
XLogP1.69
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
CID 63135299
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
ethyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]thiophene-3-carboxylate
CID 115439460
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 9264394
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide (CID 115437776) is 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide is NCC1(C(=O)Nc2sccc2C(N)=O)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide?
The InChIKey is PRXHRDJCYPEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-8-13(5-2-1-3-6-13)12(18)16-11-9(10(15)17)4-7-19-11/h4,7H,1-3,5-6,8,14H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide?
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 115437776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).