N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine

C14H19N5O3S — CID 95847935

IUPACN,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
SMILESCN(C)c1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1
InChIInChI=1S/C14H19N5O3S/c1-18(2)11-3-4-13(15-7-11)14-10-19(5-6-22-14)23(20,21)12-8-16-17-9-12/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyPBRZVBVNLSVHQA-AWEZNQCLSA-N
MW337.41 g/mol
LogP0.63
Rot. Bonds4

About N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine

N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine (PubChem CID 95847935) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
PubChem CID95847935
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
SMILESCN(C)c1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1
InChIInChI=1S/C14H19N5O3S/c1-18(2)11-3-4-13(15-7-11)14-10-19(5-6-22-14)23(20,21)12-8-16-17-9-12/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyPBRZVBVNLSVHQA-AWEZNQCLSA-N
XLogP0.63
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine (CID 95847935) is N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine is CN(C)c1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1.
What is the InChIKey of N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The InChIKey is PBRZVBVNLSVHQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-18(2)11-3-4-13(15-7-11)14-10-19(5-6-22-14)23(20,21)12-8-16-17-9-12/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,16,17)/t14-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine has a molecular weight of 337.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine is sourced from PubChem (CID 95847935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).