N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C14H26N4O3S — CID 94032700

IUPACN-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)no1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-7-5-6-11(9-18)8-15-22(4,19)20/h11,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeySXUPPOIOKYHVFT-LLVKDONJSA-N
MW330.45 g/mol
LogP1.13
Rot. Bonds5

About N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 94032700) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID94032700
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)no1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-7-5-6-11(9-18)8-15-22(4,19)20/h11,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeySXUPPOIOKYHVFT-LLVKDONJSA-N
XLogP1.13
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914755
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62690798
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 47053532
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920036
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
5-tert-butyl-3-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60977909
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120751652
N-(2-aminoethyl)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917197
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908645
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 94032700) is N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CC(C)(C)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)no1.
What is the InChIKey of N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is SXUPPOIOKYHVFT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-7-5-6-11(9-18)8-15-22(4,19)20/h11,15H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 94032700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).