N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide

C14H26N4O3S — CID 95293347

IUPACN,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
SMILESCc1cnn(C[C@H]2CN(CCCS(=O)(=O)N(C)C)CCO2)c1
InChIInChI=1S/C14H26N4O3S/c1-13-9-15-18(10-13)12-14-11-17(6-7-21-14)5-4-8-22(19,20)16(2)3/h9-10,14H,4-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyFBGABJSWXVKKES-CQSZACIVSA-N
MW330.45 g/mol
LogP0.17
Rot. Bonds7

About N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide

N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide (PubChem CID 95293347) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
PubChem CID95293347
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
SMILESCc1cnn(C[C@H]2CN(CCCS(=O)(=O)N(C)C)CCO2)c1
InChIInChI=1S/C14H26N4O3S/c1-13-9-15-18(10-13)12-14-11-17(6-7-21-14)5-4-8-22(19,20)16(2)3/h9-10,14H,4-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyFBGABJSWXVKKES-CQSZACIVSA-N
XLogP0.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 95285675
5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 95285040
4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
CID 95286132
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95287030
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95291335

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide (CID 95293347) is N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide is Cc1cnn(C[C@H]2CN(CCCS(=O)(=O)N(C)C)CCO2)c1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide?
The InChIKey is FBGABJSWXVKKES-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-13-9-15-18(10-13)12-14-11-17(6-7-21-14)5-4-8-22(19,20)16(2)3/h9-10,14H,4-8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 0.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 95293347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).