(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide

C14H21N3O4S — CID 94068233

IUPAC(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-11(22(2,19)20)14(18)16-10-12-3-4-15-13(9-12)17-5-7-21-8-6-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNHRGACJJPGGWAU-NSHDSACASA-N
MW327.41 g/mol
LogP-0.03
Rot. Bonds5

About (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide

(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide (PubChem CID 94068233) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
PubChem CID94068233
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-11(22(2,19)20)14(18)16-10-12-3-4-15-13(9-12)17-5-7-21-8-6-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNHRGACJJPGGWAU-NSHDSACASA-N
XLogP-0.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 48964032
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide (CID 94068233) is (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide is C[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is NHRGACJJPGGWAU-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11(22(2,19)20)14(18)16-10-12-3-4-15-13(9-12)17-5-7-21-8-6-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 94068233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).