1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide

C10H22N4O3S — CID 114816946

IUPAC1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCCOC)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-17-8-7-13-18(15,16)14-10(9(11)12)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H3,11,12)
InChIKeyRAEVGIGCWDLMIX-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.30
Rot. Bonds7

About 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide

1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 114816946) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID114816946
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCCOC)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-17-8-7-13-18(15,16)14-10(9(11)12)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H3,11,12)
InChIKeyRAEVGIGCWDLMIX-UHFFFAOYSA-N
XLogP-0.30
TPSA117.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(sulfamoylamino)cycloheptane-1-carboximidamide
CID 114959695
1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813298
1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 114813326
4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114816893
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
3-(1-carbamimidoylcyclohexyl)-1-ethyl-1-methylurea
CID 79163417
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 114816946) is 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCCOC)CCCCC1.
What is the InChIKey of 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is RAEVGIGCWDLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-17-8-7-13-18(15,16)14-10(9(11)12)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H3,11,12).
What are the key properties of 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide?
1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of -0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 114816946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).