1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide

C10H21N3O2S2 — CID 114808160

IUPAC1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
SMILESCCNS(=O)(=O)NC1(C(N)=S)CCCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-2-12-17(14,15)13-10(9(11)16)7-5-3-4-6-8-10/h12-13H,2-8H2,1H3,(H2,11,16)
InChIKeyVCJHDOAEOUDTRB-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.81
Rot. Bonds5

About 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide

1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide (PubChem CID 114808160) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
PubChem CID114808160
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
SMILESCCNS(=O)(=O)NC1(C(N)=S)CCCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-2-12-17(14,15)13-10(9(11)16)7-5-3-4-6-8-10/h12-13H,2-8H2,1H3,(H2,11,16)
InChIKeyVCJHDOAEOUDTRB-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.81
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

1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
1-(sulfamoylamino)cyclopentane-1-carbothioamide
CID 114959145
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
CID 82842928
1-(2-ethoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 63245658
1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
CID 114808190
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808155
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide?
The IUPAC name of 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide (CID 114808160) is 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide.
What is the SMILES notation for 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide?
The canonical SMILES for 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide is CCNS(=O)(=O)NC1(C(N)=S)CCCCCC1.
What is the InChIKey of 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide?
The InChIKey is VCJHDOAEOUDTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-2-12-17(14,15)13-10(9(11)16)7-5-3-4-6-8-10/h12-13H,2-8H2,1H3,(H2,11,16).
What are the key properties of 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide?
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide is sourced from PubChem (CID 114808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).