N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C9H17N5O2S — CID 64516927

IUPACN-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H17N5O2S/c1-14(5-9-11-7-12-13-9)17(15,16)6-8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyQMOJGPQZLVGSPG-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.68
Rot. Bonds5

About N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 64516927) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID64516927
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H17N5O2S/c1-14(5-9-11-7-12-13-9)17(15,16)6-8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyQMOJGPQZLVGSPG-UHFFFAOYSA-N
XLogP-0.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-amino-3-(1H-1,2,4-triazol-5-yl)propylidene]-4,4,4-trifluorobutane-1-sulfonamide
CID 176903826
4,4,4-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 103943299
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
CID 50971386
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 55037930
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55037974
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 55201912
4-(2-Methylpropyl)-3-(1-propylsulfonylpyrrolidin-2-yl)-1,2,4-triazole
CID 56794096
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine
CID 60977965
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thian-4-amine
CID 60979171
N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 60982434
N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 60982561

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 64516927) is N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is QMOJGPQZLVGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(5-9-11-7-12-13-9)17(15,16)6-8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64516927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).