N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide

C10H18N4O2S2 — CID 154736702

IUPACN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1nsc(N2CCCCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S2/c1-8-12-10(17-13-8)14-6-4-3-5-9(14)7-11-18(2,15)16/h9,11H,3-7H2,1-2H3
InChIKeyPULGKDFHSCJNAY-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.75
Rot. Bonds4

About N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 154736702) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID154736702
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1nsc(N2CCCCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S2/c1-8-12-10(17-13-8)14-6-4-3-5-9(14)7-11-18(2,15)16/h9,11H,3-7H2,1-2H3
InChIKeyPULGKDFHSCJNAY-UHFFFAOYSA-N
XLogP0.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]propan-2-amine
CID 107305954
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
N-[[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]methanesulfonamide
CID 94063930
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 65280822
5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 80675546

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide (CID 154736702) is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide is Cc1nsc(N2CCCCC2CNS(C)(=O)=O)n1.
What is the InChIKey of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is PULGKDFHSCJNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-8-12-10(17-13-8)14-6-4-3-5-9(14)7-11-18(2,15)16/h9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 154736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).