1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine

C14H28N2O2S — CID 43307439

IUPAC1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine
SMILESCCCN1CCC(C(C)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-7-16-8-4-13(5-9-16)12(2)15-14-6-10-19(17,18)11-14/h12-15H,3-11H2,1-2H3
InChIKeyBWXPLTLPRRVLFP-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds5

About 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine

1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine (PubChem CID 43307439) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine
PubChem CID43307439
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine
SMILESCCCN1CCC(C(C)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-7-16-8-4-13(5-9-16)12(2)15-14-6-10-19(17,18)11-14/h12-15H,3-11H2,1-2H3
InChIKeyBWXPLTLPRRVLFP-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
(1-methylpiperidin-4-yl) N-[(1,1-dioxothiolan-3-yl)methyl]carbamodithioate
CID 155531518
2Lambda6-thia-8-azaspiro(4.5)decane-2,2-dione hydrochloride
CID 137346554
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 75427687
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
3-Cyclobutyl-1lambda6-thiomorpholine-1,1-dione
CID 105443920
4-(dimethylsulfamoylamino)-1-[(3S)-1,1-dioxothiolan-3-yl]piperidine
CID 129529395
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine (CID 43307439) is 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine is CCCN1CCC(C(C)NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine?
The InChIKey is BWXPLTLPRRVLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-7-16-8-4-13(5-9-16)12(2)15-14-6-10-19(17,18)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine?
1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[1-(1-propylpiperidin-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 43307439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).