1-amino-N-ethylsulfonylcyclohexane-1-carboxamide

C9H18N2O3S — CID 103306713

IUPAC1-amino-N-ethylsulfonylcyclohexane-1-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)11-8(12)9(10)6-4-3-5-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyKWZXFKYTDKUQHD-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.11
Rot. Bonds3

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

1-amino-N-ethylsulfonylcyclohexane-1-carboxamide (PubChem CID 103306713) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-ethylsulfonylcyclohexane-1-carboxamide
PubChem CID103306713
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-amino-N-ethylsulfonylcyclohexane-1-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)11-8(12)9(10)6-4-3-5-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyKWZXFKYTDKUQHD-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-amino-N-(cyclopropylsulfonyl)-2-ethylcyclopropanecarboxamide
CID 53465517
2-(Cyclohexylmethylsulfonylamino)-3-methylpentanamide
CID 56791547
1-(Methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
trans-(1S,2S)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 57389368
trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
CID 57463497
(1R)-1-amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 59127680
(1R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59319347
(2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
CID 59319418
(2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59319430
(1R,12R)-1-amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 59584959
cis-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59856500
1-Amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 66782543

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide (CID 103306713) is 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide is CCS(=O)(=O)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
The InChIKey is KWZXFKYTDKUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(13,14)11-8(12)9(10)6-4-3-5-7-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide?
1-amino-N-ethylsulfonylcyclohexane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-ethylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 103306713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).