1-(methanesulfonamido)cyclooctane-1-carbothioamide

C10H20N2O2S2 — CID 61123753

IUPAC1-(methanesulfonamido)cyclooctane-1-carbothioamide
SMILESCS(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C10H20N2O2S2/c1-16(13,14)12-10(9(11)15)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3,(H2,11,15)
InChIKeyRHIYLVDHZGMFSF-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.30
Rot. Bonds3

About 1-(methanesulfonamido)cyclooctane-1-carbothioamide

1-(methanesulfonamido)cyclooctane-1-carbothioamide (PubChem CID 61123753) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(methanesulfonamido)cyclooctane-1-carbothioamide.

Molecular Properties

Compound Name1-(methanesulfonamido)cyclooctane-1-carbothioamide
PubChem CID61123753
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1-(methanesulfonamido)cyclooctane-1-carbothioamide
SMILESCS(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C10H20N2O2S2/c1-16(13,14)12-10(9(11)15)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3,(H2,11,15)
InChIKeyRHIYLVDHZGMFSF-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Difluoromethylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123579
N-[1-(aminomethyl)cyclooctyl]methanesulfonamide
CID 28940644
1-(2-Methoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 55014118
1-(Tert-butylsulfonylamino)cycloheptane-1-carbothioamide
CID 55233816
1-(Tert-butylsulfonylamino)cyclooctane-1-carbothioamide
CID 55234016
1-(Methanesulfonamido)cycloheptane-1-carbothioamide
CID 61123277
1-(Cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(Propan-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123575
1-(Ethylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123577
1-(Dimethylsulfamoylamino)cyclooctane-1-carbothioamide
CID 61123581
1-(Propylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123757
1-(Butylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123758

Frequently Asked Questions

What is the IUPAC name of 1-(methanesulfonamido)cyclooctane-1-carbothioamide?
The IUPAC name of 1-(methanesulfonamido)cyclooctane-1-carbothioamide (CID 61123753) is 1-(methanesulfonamido)cyclooctane-1-carbothioamide.
What is the SMILES notation for 1-(methanesulfonamido)cyclooctane-1-carbothioamide?
The canonical SMILES for 1-(methanesulfonamido)cyclooctane-1-carbothioamide is CS(=O)(=O)NC1(C(N)=S)CCCCCCC1.
What is the InChIKey of 1-(methanesulfonamido)cyclooctane-1-carbothioamide?
The InChIKey is RHIYLVDHZGMFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-16(13,14)12-10(9(11)15)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3,(H2,11,15).
What are the key properties of 1-(methanesulfonamido)cyclooctane-1-carbothioamide?
1-(methanesulfonamido)cyclooctane-1-carbothioamide has a molecular weight of 264.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanesulfonamido)cyclooctane-1-carbothioamide is sourced from PubChem (CID 61123753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).