4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide

C12H25N3O2S2 — CID 114808155

IUPAC4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCCCNS(=O)(=O)NC1(C(N)=S)CCC(CC)CC1
InChIInChI=1S/C12H25N3O2S2/c1-3-9-14-19(16,17)15-12(11(13)18)7-5-10(4-2)6-8-12/h10,14-15H,3-9H2,1-2H3,(H2,13,18)
InChIKeyRVPRXIZCZLAXAP-UHFFFAOYSA-N
MW307.49 g/mol
LogP1.45
Rot. Bonds7

About 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide

4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide (PubChem CID 114808155) has the molecular formula C12H25N3O2S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
PubChem CID114808155
Molecular FormulaC12H25N3O2S2
Molecular Weight307.49 g/mol
Exact Mass307.14
IUPAC Name4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCCCNS(=O)(=O)NC1(C(N)=S)CCC(CC)CC1
InChIInChI=1S/C12H25N3O2S2/c1-3-9-14-19(16,17)15-12(11(13)18)7-5-10(4-2)6-8-12/h10,14-15H,3-9H2,1-2H3,(H2,13,18)
InChIKeyRVPRXIZCZLAXAP-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114815218
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157
1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
CID 114808190
1-(2-ethoxyethylsulfonylamino)-4-ethylcyclohexane-1-carbothioamide
CID 63245615
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
1-(cyclohexylmethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61453926
4-methyl-1-(sulfamoylamino)cyclohexane-1-carbothioamide
CID 114959147
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide (CID 114808155) is 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide is CCCNS(=O)(=O)NC1(C(N)=S)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide?
The InChIKey is RVPRXIZCZLAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S2/c1-3-9-14-19(16,17)15-12(11(13)18)7-5-10(4-2)6-8-12/h10,14-15H,3-9H2,1-2H3,(H2,13,18).
What are the key properties of 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide?
4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide has a molecular weight of 307.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 114808155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).