1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide

C12H24N2O4S2 — CID 60807458

IUPAC1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S2/c1-2-8-14(11-3-6-13-7-4-11)20(17,18)12-5-9-19(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyLKIWRTKSZIGLSN-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.03
Rot. Bonds5

About 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide

1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide (PubChem CID 60807458) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide
PubChem CID60807458
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S2/c1-2-8-14(11-3-6-13-7-4-11)20(17,18)12-5-9-19(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyLKIWRTKSZIGLSN-UHFFFAOYSA-N
XLogP-0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide
CID 79701122
N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 102867547
(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 40512968
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084061
N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
4-methyl-N-piperidin-4-yl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 119994154
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
CID 105361380

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide (CID 60807458) is 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide?
The InChIKey is LKIWRTKSZIGLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-2-8-14(11-3-6-13-7-4-11)20(17,18)12-5-9-19(15,16)10-12/h11-13H,2-10H2,1H3.
What are the key properties of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide?
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide is sourced from PubChem (CID 60807458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).