3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C15H24N2OS — CID 63044895

IUPAC3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H24N2OS/c1-11(2)17(10-14-7-4-8-19-14)15(18)12-5-3-6-13(16)9-12/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3
InChIKeyGTPYBVQLLRIGPJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 63044895) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID63044895
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H24N2OS/c1-11(2)17(10-14-7-4-8-19-14)15(18)12-5-3-6-13(16)9-12/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3
InChIKeyGTPYBVQLLRIGPJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 63044895) is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is CC(C)N(Cc1cccs1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is GTPYBVQLLRIGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)17(10-14-7-4-8-19-14)15(18)12-5-3-6-13(16)9-12/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3.
What are the key properties of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63044895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).