1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine

C12H24N2O2S — CID 43315218

IUPAC1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-6-13-11-3-7-14(8-4-11)12-5-9-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyPFVDRYVYHMGWEN-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine (PubChem CID 43315218) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
PubChem CID43315218
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-6-13-11-3-7-14(8-4-11)12-5-9-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyPFVDRYVYHMGWEN-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
CID 166946144
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 43653701
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
N-[[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]methyl]propan-2-amine
CID 63848761
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine (CID 43315218) is 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine?
The InChIKey is PFVDRYVYHMGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-6-13-11-3-7-14(8-4-11)12-5-9-17(15,16)10-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine?
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 43315218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).