(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone

C16H25N3O4S2 — CID 120815056

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCC1N
InChIInChI=1S/C16H25N3O4S2/c1-16(2)11-18(4-3-13(16)17)15(20)12-9-14(24-10-12)25(21,22)19-5-7-23-8-6-19/h9-10,13H,3-8,11,17H2,1-2H3
InChIKeyAEBSNGSLSUPSMG-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.97
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone (PubChem CID 120815056) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
PubChem CID120815056
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCC1N
InChIInChI=1S/C16H25N3O4S2/c1-16(2)11-18(4-3-13(16)17)15(20)12-9-14(24-10-12)25(21,22)19-5-7-23-8-6-19/h9-10,13H,3-8,11,17H2,1-2H3
InChIKeyAEBSNGSLSUPSMG-UHFFFAOYSA-N
XLogP0.97
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 120814606
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
CID 166216586
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
CID 50777841

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone (CID 120815056) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone is CC1(C)CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
The InChIKey is AEBSNGSLSUPSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-16(2)11-18(4-3-13(16)17)15(20)12-9-14(24-10-12)25(21,22)19-5-7-23-8-6-19/h9-10,13H,3-8,11,17H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone is sourced from PubChem (CID 120815056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).