N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide

C17H28N4O4S2 — CID 55966007

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H28N4O4S2/c1-2-11-27(23,24)21-6-4-3-5-15(21)16(22)19-17-18-14(13-26-17)12-20-7-9-25-10-8-20/h13,15H,2-12H2,1H3,(H,18,19,22)
InChIKeyYNRJRJKEKXUZPN-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.51
Rot. Bonds7

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55966007) has the molecular formula C17H28N4O4S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55966007
Molecular FormulaC17H28N4O4S2
Molecular Weight416.57 g/mol
Exact Mass416.16
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H28N4O4S2/c1-2-11-27(23,24)21-6-4-3-5-15(21)16(22)19-17-18-14(13-26-17)12-20-7-9-25-10-8-20/h13,15H,2-12H2,1H3,(H,18,19,22)
InChIKeyYNRJRJKEKXUZPN-UHFFFAOYSA-N
XLogP1.51
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 47044892
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55758579
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
(2S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962243
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55503858
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 29324976
(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 26009478
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55966007) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is YNRJRJKEKXUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S2/c1-2-11-27(23,24)21-6-4-3-5-15(21)16(22)19-17-18-14(13-26-17)12-20-7-9-25-10-8-20/h13,15H,2-12H2,1H3,(H,18,19,22).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55966007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).