1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid

C14H19NO3S — CID 43341633

IUPAC1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1ccsc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H19NO3S/c1-10-6-9-19-11(10)12(16)15-14(13(17)18)7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFNHISAPTPWMCBQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.96
Rot. Bonds3

About 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341633) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341633
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1ccsc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H19NO3S/c1-10-6-9-19-11(10)12(16)15-14(13(17)18)7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFNHISAPTPWMCBQ-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
3-methyl-N-(3-methylazetidin-3-yl)thiophene-2-carboxamide
CID 130913749
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
(3S)-3-[(3-methoxythiophene-2-carbonyl)amino]thiolane-3-carboxylic acid
CID 124596091
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
[1-(dimethylamino)cyclopentyl]-(3-methylthiophen-2-yl)methanone
CID 79991094
1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113815
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
CID 115272118
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 43341633) is 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid is Cc1ccsc1C(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is FNHISAPTPWMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-6-9-19-11(10)12(16)15-14(13(17)18)7-4-2-3-5-8-14/h6,9H,2-5,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).