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

C10H19N5O2S — CID 113349407

IUPAC1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCn1cnc(CNC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H19N5O2S/c1-14-8-12-10(13-14)7-11-9-3-5-15(6-4-9)18(2,16)17/h8-9,11H,3-7H2,1-2H3
InChIKeyFHJYQTVRPBHLHW-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.67
Rot. Bonds4

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

1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 113349407) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID113349407
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCn1cnc(CNC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H19N5O2S/c1-14-8-12-10(13-14)7-11-9-3-5-15(6-4-9)18(2,16)17/h8-9,11H,3-7H2,1-2H3
InChIKeyFHJYQTVRPBHLHW-UHFFFAOYSA-N
XLogP-0.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66131885
N-[(4,5-dibromothiophen-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 102831737
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 113349407) is 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is Cn1cnc(CNC2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is FHJYQTVRPBHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-14-8-12-10(13-14)7-11-9-3-5-15(6-4-9)18(2,16)17/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 113349407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).