4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide

C14H22N2OS — CID 65085259

IUPAC4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
SMILESCC1CCCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-7-14(8-6-11,13(15)17)16-10-12-5-3-9-18-12/h3,5,9,11,16H,2,4,6-8,10H2,1H3,(H2,15,17)
InChIKeyWAPNQETULKUWTF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide

4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide (PubChem CID 65085259) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
PubChem CID65085259
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
SMILESCC1CCCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-7-14(8-6-11,13(15)17)16-10-12-5-3-9-18-12/h3,5,9,11,16H,2,4,6-8,10H2,1H3,(H2,15,17)
InChIKeyWAPNQETULKUWTF-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The IUPAC name of 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide (CID 65085259) is 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide is CC1CCCC(NCc2cccs2)(C(N)=O)CC1.
What is the InChIKey of 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The InChIKey is WAPNQETULKUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-2-7-14(8-6-11,13(15)17)16-10-12-5-3-9-18-12/h3,5,9,11,16H,2,4,6-8,10H2,1H3,(H2,15,17).
What are the key properties of 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 65085259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).