4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide

C13H26N2O3S — CID 103307661

IUPAC4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C13H26N2O3S/c1-5-8-19(17,18)15-12(16)10-6-7-11(14)9(2)13(10,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyPLQANHIAISLDRJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide (PubChem CID 103307661) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
PubChem CID103307661
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C13H26N2O3S/c1-5-8-19(17,18)15-12(16)10-6-7-11(14)9(2)13(10,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyPLQANHIAISLDRJ-UHFFFAOYSA-N
XLogP1.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322683
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629114
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102628342

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide (CID 103307661) is 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide is CCCS(=O)(=O)NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide?
The InChIKey is PLQANHIAISLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-8-19(17,18)15-12(16)10-6-7-11(14)9(2)13(10,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 103307661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).