1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide

C10H22N4O2S2 — CID 114808190

IUPAC1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
SMILESCCCNS(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C10H22N4O2S2/c1-3-6-12-18(15,16)13-10(9(11)17)4-7-14(2)8-5-10/h12-13H,3-8H2,1-2H3,(H2,11,17)
InChIKeyRSNNPJSITJKFNP-UHFFFAOYSA-N
MW294.45 g/mol
LogP-0.43
Rot. Bonds6

About 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide

1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide (PubChem CID 114808190) has the molecular formula C10H22N4O2S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
PubChem CID114808190
Molecular FormulaC10H22N4O2S2
Molecular Weight294.45 g/mol
Exact Mass294.12
IUPAC Name1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
SMILESCCCNS(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C10H22N4O2S2/c1-3-6-12-18(15,16)13-10(9(11)17)4-7-14(2)8-5-10/h12-13H,3-8H2,1-2H3,(H2,11,17)
InChIKeyRSNNPJSITJKFNP-UHFFFAOYSA-N
XLogP-0.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808155
4-(tert-butylsulfonylamino)-1-methylpiperidine-4-carbothioamide
CID 63689903
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
CID 114752760
N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
CID 104978294
4-ethyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114815218
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
N-(4-carbamothioyl-1-methylpiperidin-4-yl)azepane-1-carboxamide
CID 79152894
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
CID 114807742

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide?
The IUPAC name of 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide (CID 114808190) is 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide.
What is the SMILES notation for 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide?
The canonical SMILES for 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide is CCCNS(=O)(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide?
The InChIKey is RSNNPJSITJKFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S2/c1-3-6-12-18(15,16)13-10(9(11)17)4-7-14(2)8-5-10/h12-13H,3-8H2,1-2H3,(H2,11,17).
What are the key properties of 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide?
1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide has a molecular weight of 294.45 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide is sourced from PubChem (CID 114808190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).