1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

C11H21N5O2S — CID 50962964

IUPAC1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1nc(C(C)NC2CCN(S(C)(=O)=O)CC2)n[nH]1
InChIInChI=1S/C11H21N5O2S/c1-8(11-13-9(2)14-15-11)12-10-4-6-16(7-5-10)19(3,17)18/h8,10,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGIQKWHPVXVWYDP-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.19
Rot. Bonds4

About 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 50962964) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID50962964
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1nc(C(C)NC2CCN(S(C)(=O)=O)CC2)n[nH]1
InChIInChI=1S/C11H21N5O2S/c1-8(11-13-9(2)14-15-11)12-10-4-6-16(7-5-10)19(3,17)18/h8,10,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGIQKWHPVXVWYDP-UHFFFAOYSA-N
XLogP0.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
N-[1-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 50970837
N-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 77093819
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 164641520
2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 5247903
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628903
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
CID 50971386
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 54883349
2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336582
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806660
N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine
CID 64510360
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 64511502

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 50962964) is 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is Cc1nc(C(C)NC2CCN(S(C)(=O)=O)CC2)n[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is GIQKWHPVXVWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-8(11-13-9(2)14-15-11)12-10-4-6-16(7-5-10)19(3,17)18/h8,10,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 50962964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).