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

C10H19N5O2S — CID 114239296

IUPAC1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-8(10-11-7-12-14-10)13-9-3-5-15(6-4-9)18(2,16)17/h7-9,13H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyBAMKUKMIYZZHQC-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.12
Rot. Bonds4

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

1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 114239296) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
PubChem CID114239296
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-8(10-11-7-12-14-10)13-9-3-5-15(6-4-9)18(2,16)17/h7-9,13H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyBAMKUKMIYZZHQC-UHFFFAOYSA-N
XLogP-0.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 77093819
N-(2-cyanopropyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
CID 121542895
1-Ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109636926
1-Ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109636927
1-Ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109637302
1-Ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109637303
1-Ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109637624
1-Ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109637625
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109638360
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109638361
1-(methylsulfonyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 50962964
1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
CID 91189352

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine (CID 114239296) is 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine is CC(NC1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is BAMKUKMIYZZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8(10-11-7-12-14-10)13-9-3-5-15(6-4-9)18(2,16)17/h7-9,13H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of -0.12, 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-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114239296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).