N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

C16H26N4O3S — CID 127297981

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN1CCOC(CNc2ncccc2S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H26N4O3S/c1-19-10-11-23-14(13-19)12-18-16-15(6-5-7-17-16)24(21,22)20-8-3-2-4-9-20/h5-7,14H,2-4,8-13H2,1H3,(H,17,18)
InChIKeyLDTAEXRKXPCYEW-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.00
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 127297981) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID127297981
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN1CCOC(CNc2ncccc2S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H26N4O3S/c1-19-10-11-23-14(13-19)12-18-16-15(6-5-7-17-16)24(21,22)20-8-3-2-4-9-20/h5-7,14H,2-4,8-13H2,1H3,(H,17,18)
InChIKeyLDTAEXRKXPCYEW-UHFFFAOYSA-N
XLogP1.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709868
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62966962
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (CID 127297981) is N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is CN1CCOC(CNc2ncccc2S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LDTAEXRKXPCYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-19-10-11-23-14(13-19)12-18-16-15(6-5-7-17-16)24(21,22)20-8-3-2-4-9-20/h5-7,14H,2-4,8-13H2,1H3,(H,17,18).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 354.48 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 127297981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).