4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine

C7H17N3OS — CID 156804783

IUPAC4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine
SMILESCS(C)(=O)=NC1CCN(N)CC1
InChIInChI=1S/C7H17N3OS/c1-12(2,11)9-7-3-5-10(8)6-4-7/h7H,3-6,8H2,1-2H3
InChIKeySSZVQDJTBLNLER-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.05
Rot. Bonds1

About 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine

4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine (PubChem CID 156804783) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine.

Molecular Properties

Compound Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine
PubChem CID156804783
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine
SMILESCS(C)(=O)=NC1CCN(N)CC1
InChIInChI=1S/C7H17N3OS/c1-12(2,11)9-7-3-5-10(8)6-4-7/h7H,3-6,8H2,1-2H3
InChIKeySSZVQDJTBLNLER-UHFFFAOYSA-N
XLogP0.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfonylmethyl)piperidin-1-amine
CID 130735620
cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane
CID 156576236
N-(1-aminopyrrolidin-3-yl)methanesulfonamide
CID 89076726
N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
CID 123333446
2-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 67053473
N'-cyclopropyl-2-methylsulfonylethanimidamide
CID 63182120
4-(aminodiazenyl)-1-methylazepane
CID 122626427
4-isocyanato-1-pyrrolidin-1-ylsulfonylpiperidine
CID 28785354
4-(aminodiazenyl)-1-propylpiperidine
CID 90208852
3,4-dimethylpiperidin-1-amine
CID 70033893
2-ethyl-1-methylsulfonylazetidine
CID 130668579
3-methylsulfonylpyrrolidine-1-sulfonamide
CID 57434350

Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine?
The IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine (CID 156804783) is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine.
What is the SMILES notation for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine?
The canonical SMILES for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine is CS(C)(=O)=NC1CCN(N)CC1.
What is the InChIKey of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine?
The InChIKey is SSZVQDJTBLNLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c1-12(2,11)9-7-3-5-10(8)6-4-7/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine?
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine is sourced from PubChem (CID 156804783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).