2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

C6H13N5O2S — CID 64511897

IUPAC2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CCN
InChIInChI=1S/C6H13N5O2S/c1-11(14(12,13)3-2-7)4-6-8-5-9-10-6/h5H,2-4,7H2,1H3,(H,8,9,10)
InChIKeyDPBGGNAOVAFWRL-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.48
Rot. Bonds5

About 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (PubChem CID 64511897) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
PubChem CID64511897
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CCN
InChIInChI=1S/C6H13N5O2S/c1-11(14(12,13)3-2-7)4-6-8-5-9-10-6/h5H,2-4,7H2,1H3,(H,8,9,10)
InChIKeyDPBGGNAOVAFWRL-UHFFFAOYSA-N
XLogP-1.48
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1H-1,2,4-triazol-3-yl)methanesulfonyl fluoride
CID 54247188
N-[(3S)-3-amino-3-(1H-1,2,4-triazol-5-yl)propylidene]-4,4,4-trifluorobutane-1-sulfonamide
CID 176903826
1,1-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 60981989
1,1,1-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 60982098
1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64510939
1,1-difluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64519568
4,4,4-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butane-1-sulfonamide
CID 83059414
4,4,4-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059570
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butane-1-sulfonamide
CID 83059718
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059850
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059989
1,1-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103943225

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (CID 64511897) is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is DPBGGNAOVAFWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-11(14(12,13)3-2-7)4-6-8-5-9-10-6/h5H,2-4,7H2,1H3,(H,8,9,10).
What are the key properties of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 219.27 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 64511897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).