N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide

C16H25N3O3S2 — CID 136548409

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCCC(CS(C)(=O)=O)C3)nc21
InChIInChI=1S/C16H25N3O3S2/c1-16(2)7-6-12-13(16)17-14(23-12)18-15(20)19-8-4-5-11(9-19)10-24(3,21)22/h11H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyHGNACZCIUNALTC-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.66
Rot. Bonds3

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide (PubChem CID 136548409) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
PubChem CID136548409
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCCC(CS(C)(=O)=O)C3)nc21
InChIInChI=1S/C16H25N3O3S2/c1-16(2)7-6-12-13(16)17-14(23-12)18-15(20)19-8-4-5-11(9-19)10-24(3,21)22/h11H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyHGNACZCIUNALTC-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide (CID 136548409) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide is CC1(C)CCc2sc(NC(=O)N3CCCC(CS(C)(=O)=O)C3)nc21.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The InChIKey is HGNACZCIUNALTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-16(2)7-6-12-13(16)17-14(23-12)18-15(20)19-8-4-5-11(9-19)10-24(3,21)22/h11H,4-10H2,1-3H3,(H,17,18,20).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 136548409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).