N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

C14H25N3O3S — CID 125166536

IUPACN,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCc1cc([C@H]2CCCCN2CCCS(=O)(=O)N(C)C)no1
InChIInChI=1S/C14H25N3O3S/c1-12-11-13(15-20-12)14-7-4-5-8-17(14)9-6-10-21(18,19)16(2)3/h11,14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyDXZNBUHCYMMPHA-CQSZACIVSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds6

About N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 125166536) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID125166536
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCc1cc([C@H]2CCCCN2CCCS(=O)(=O)N(C)C)no1
InChIInChI=1S/C14H25N3O3S/c1-12-11-13(15-20-12)14-7-4-5-8-17(14)9-6-10-21(18,19)16(2)3/h11,14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyDXZNBUHCYMMPHA-CQSZACIVSA-N
XLogP1.79
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 125175909
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91837582
3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 91833913
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95340423
5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
CID 51584464
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (CID 125166536) is N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is Cc1cc([C@H]2CCCCN2CCCS(=O)(=O)N(C)C)no1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is DXZNBUHCYMMPHA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-12-11-13(15-20-12)14-7-4-5-8-17(14)9-6-10-21(18,19)16(2)3/h11,14H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 125166536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).