(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone

C18H28N2O4S2 — CID 166216586

IUPAC(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
SMILESCCCC1C(C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-3-5-16-14(2)6-4-7-20(16)18(21)15-12-17(25-13-15)26(22,23)19-8-10-24-11-9-19/h12-14,16H,3-11H2,1-2H3
InChIKeyHNIYUJQZTXAPJN-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.81
Rot. Bonds5

About (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone

(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone (PubChem CID 166216586) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
PubChem CID166216586
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC Name(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
SMILESCCCC1C(C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-3-5-16-14(2)6-4-7-20(16)18(21)15-12-17(25-13-15)26(22,23)19-8-10-24-11-9-19/h12-14,16H,3-11H2,1-2H3
InChIKeyHNIYUJQZTXAPJN-UHFFFAOYSA-N
XLogP2.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
CID 143816811
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
CID 120815056
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-3-carboxylic acid
CID 55152573
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
N-[(3-methylphenyl)methyl]-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074793
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
CID 50777841

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The IUPAC name of (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone (CID 166216586) is (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone.
What is the SMILES notation for (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The canonical SMILES for (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone is CCCC1C(C)CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The InChIKey is HNIYUJQZTXAPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-3-5-16-14(2)6-4-7-20(16)18(21)15-12-17(25-13-15)26(22,23)19-8-10-24-11-9-19/h12-14,16H,3-11H2,1-2H3.
What are the key properties of (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone has a molecular weight of 400.57 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone is sourced from PubChem (CID 166216586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).