N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine

C18H28N2O4S2 — CID 75524521

IUPACN-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC(NC3CCS(=O)(=O)C3)CC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-14(2)15-4-3-5-18(12-15)26(23,24)20-9-6-16(7-10-20)19-17-8-11-25(21,22)13-17/h3-5,12,14,16-17,19H,6-11,13H2,1-2H3
InChIKeyAUHMLMDJRGTZRL-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.74
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine

N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine (PubChem CID 75524521) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
PubChem CID75524521
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC(NC3CCS(=O)(=O)C3)CC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-14(2)15-4-3-5-18(12-15)26(23,24)20-9-6-16(7-10-20)19-17-8-11-25(21,22)13-17/h3-5,12,14,16-17,19H,6-11,13H2,1-2H3
InChIKeyAUHMLMDJRGTZRL-UHFFFAOYSA-N
XLogP1.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
[1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 45354792
ethyl 1-[3-[2-[(1,1-dioxothiolan-3-yl)amino]acetyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 110825066
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 138531753
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111142887

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine (CID 75524521) is N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine is CC(C)c1cccc(S(=O)(=O)N2CCC(NC3CCS(=O)(=O)C3)CC2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is AUHMLMDJRGTZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-14(2)15-4-3-5-18(12-15)26(23,24)20-9-6-16(7-10-20)19-17-8-11-25(21,22)13-17/h3-5,12,14,16-17,19H,6-11,13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 400.57 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 75524521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).