1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide

C9H18N2O2S2 — CID 61122658

IUPAC1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCC(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C9H18N2O2S2/c1-7(2)15(12,13)11-9(8(10)14)5-3-4-6-9/h7,11H,3-6H2,1-2H3,(H2,10,14)
InChIKeyMTMYSWFQDFCBHM-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.91
Rot. Bonds4

About 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide

1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 61122658) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID61122658
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCC(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C9H18N2O2S2/c1-7(2)15(12,13)11-9(8(10)14)5-3-4-6-9/h7,11H,3-6H2,1-2H3,(H2,10,14)
InChIKeyMTMYSWFQDFCBHM-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.91
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

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
CID 83058503
N-(1-ethylcyclopentyl)ethanesulfonamide
CID 128544368
N-[1-(aminomethyl)cyclopentyl]butane-1-sulfonamide
CID 28940536
N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
CID 28940538
2-(Cyclohexylmethylsulfonylamino)-2-methylbutanethioamide
CID 54947105
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carbothioamide
CID 55259381
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
N-[1-(aminomethyl)cyclopentyl]propane-2-sulfonamide
CID 60858621
1-(Cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122261
1-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 61122654
2-Ethyl-2-(propan-2-ylsulfonylamino)butanethioamide
CID 61123097

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide (CID 61122658) is 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide is CC(C)S(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is MTMYSWFQDFCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c1-7(2)15(12,13)11-9(8(10)14)5-3-4-6-9/h7,11H,3-6H2,1-2H3,(H2,10,14).
What are the key properties of 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide?
1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 250.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61122658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).