2-amino-N-ethylsulfonylcyclohexane-1-carboxamide

C9H18N2O3S — CID 103306731

IUPAC2-amino-N-ethylsulfonylcyclohexane-1-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1CCCCC1N
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)11-9(12)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMUVDAUZUMCHWPW-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.03
Rot. Bonds3

About 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide

2-amino-N-ethylsulfonylcyclohexane-1-carboxamide (PubChem CID 103306731) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethylsulfonylcyclohexane-1-carboxamide
PubChem CID103306731
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-amino-N-ethylsulfonylcyclohexane-1-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1CCCCC1N
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)11-9(12)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMUVDAUZUMCHWPW-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide (CID 103306731) is 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide is CCS(=O)(=O)NC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The InChIKey is MUVDAUZUMCHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(13,14)11-9(12)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
2-amino-N-ethylsulfonylcyclohexane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 103306731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).