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

C13H20N2OS — CID 54891229

IUPAC1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(NCc2cccs2)CCCCCC1
InChIInChI=1S/C13H20N2OS/c14-12(16)13(7-3-1-2-4-8-13)15-10-11-6-5-9-17-11/h5-6,9,15H,1-4,7-8,10H2,(H2,14,16)
InChIKeyJCDHZLMLJDYCGR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.42
Rot. Bonds4

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

1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide (PubChem CID 54891229) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
PubChem CID54891229
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(NCc2cccs2)CCCCCC1
InChIInChI=1S/C13H20N2OS/c14-12(16)13(7-3-1-2-4-8-13)15-10-11-6-5-9-17-11/h5-6,9,15H,1-4,7-8,10H2,(H2,14,16)
InChIKeyJCDHZLMLJDYCGR-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The IUPAC name of 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide (CID 54891229) is 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide is NC(=O)C1(NCc2cccs2)CCCCCC1.
What is the InChIKey of 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
The InChIKey is JCDHZLMLJDYCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-12(16)13(7-3-1-2-4-8-13)15-10-11-6-5-9-17-11/h5-6,9,15H,1-4,7-8,10H2,(H2,14,16).
What are the key properties of 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide?
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 54891229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).