1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine

C12H22N2O2S — CID 63162610

IUPAC1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H22N2O2S/c15-17(16)8-5-11(9-17)13-10-3-6-14(7-4-10)12-1-2-12/h10-13H,1-9H2
InChIKeySHKDNKQPLOHBTC-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.39
Rot. Bonds3

About 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine

1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine (PubChem CID 63162610) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
PubChem CID63162610
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H22N2O2S/c15-17(16)8-5-11(9-17)13-10-3-6-14(7-4-10)12-1-2-12/h10-13H,1-9H2
InChIKeySHKDNKQPLOHBTC-UHFFFAOYSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
CID 115707651
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857
N-(1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65076764
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethyl]formamide
CID 99976687
1-cyclopropyl-N-(3-methylcyclobutyl)piperidin-4-amine
CID 104859642
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine (CID 63162610) is 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine is O=S1(=O)CCC(NC2CCN(C3CC3)CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The InChIKey is SHKDNKQPLOHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-17(16)8-5-11(9-17)13-10-3-6-14(7-4-10)12-1-2-12/h10-13H,1-9H2.
What are the key properties of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine has a molecular weight of 258.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 63162610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).