1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide

C14H27N3O2S — CID 105361944

IUPAC1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)C2CCCC2)CCC(CC)CC1
InChIInChI=1S/C14H27N3O2S/c1-2-11-7-9-14(10-8-11,13(15)16)17-20(18,19)12-5-3-4-6-12/h11-12,17H,2-10H2,1H3,(H3,15,16)
InChIKeyPAGDHAJKRBXMOH-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.12
Rot. Bonds5

About 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide

1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide (PubChem CID 105361944) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
PubChem CID105361944
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)C2CCCC2)CCC(CC)CC1
InChIInChI=1S/C14H27N3O2S/c1-2-11-7-9-14(10-8-11,13(15)16)17-20(18,19)12-5-3-4-6-12/h11-12,17H,2-10H2,1H3,(H3,15,16)
InChIKeyPAGDHAJKRBXMOH-UHFFFAOYSA-N
XLogP2.12
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 114813326
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(sulfamoylamino)cycloheptane-1-carboximidamide
CID 114959695
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114816893
1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813298
2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
CID 105361960
1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
CID 107162815
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157
4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808155

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide?
The IUPAC name of 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide (CID 105361944) is 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)C2CCCC2)CCC(CC)CC1.
What is the InChIKey of 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide?
The InChIKey is PAGDHAJKRBXMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-2-11-7-9-14(10-8-11,13(15)16)17-20(18,19)12-5-3-4-6-12/h11-12,17H,2-10H2,1H3,(H3,15,16).
What are the key properties of 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide?
1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide has a molecular weight of 301.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 105361944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).