1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine

C15H26N2O2S — CID 86803456

IUPAC1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine
SMILESC#CCN(CCCN1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O2S/c1-2-8-17(15-7-13-20(18,19)14-15)12-6-11-16-9-4-3-5-10-16/h1,15H,3-14H2
InChIKeyCDCRINMHBJHJLT-UHFFFAOYSA-N
MW298.45 g/mol
LogP0.98
Rot. Bonds6

About 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine

1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine (PubChem CID 86803456) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine
PubChem CID86803456
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine
SMILESC#CCN(CCCN1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O2S/c1-2-8-17(15-7-13-20(18,19)14-15)12-6-11-16-9-4-3-5-10-16/h1,15H,3-14H2
InChIKeyCDCRINMHBJHJLT-UHFFFAOYSA-N
XLogP0.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylazepane-1-sulfonamide
CID 60542629
(3S)-N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-N-prop-2-ynylthiolan-3-amine
CID 124851494
(3R)-N-[(4-bromophenyl)methyl]-1,1-dioxo-N-prop-2-ynylthiolan-3-amine
CID 95139501
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 110688152
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 23968630
1,1-dioxo-N-prop-2-ynyl-N-(thiophen-3-ylmethyl)thiolan-3-amine
CID 84593347
(3R)-1,1-dioxo-N-prop-2-ynyl-N-(thiophen-3-ylmethyl)thiolan-3-amine
CID 97157233
N-(1,1-dioxothiolan-3-yl)-3-oxo-N-prop-2-ynylbutanamide
CID 54876509
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide
CID 61354879
(3R)-N-[(3-chlorothiophen-2-yl)methyl]-1,1-dioxo-N-prop-2-ynylthiolan-3-amine
CID 100701769
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013810

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine (CID 86803456) is 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine is C#CCN(CCCN1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine?
The InChIKey is CDCRINMHBJHJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-8-17(15-7-13-20(18,19)14-15)12-6-11-16-9-4-3-5-10-16/h1,15H,3-14H2.
What are the key properties of 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine?
1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine has a molecular weight of 298.45 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(3-piperidin-1-ylpropyl)-N-prop-2-ynylthiolan-3-amine is sourced from PubChem (CID 86803456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).