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

C13H17N5O3S — CID 95847933

IUPACN-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
SMILESCNc1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1
InChIInChI=1S/C13H17N5O3S/c1-14-10-2-3-12(15-6-10)13-9-18(4-5-21-13)22(19,20)11-7-16-17-8-11/h2-3,6-8,13-14H,4-5,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyPIWROVLQDSZONT-ZDUSSCGKSA-N
MW323.38 g/mol
LogP0.61
Rot. Bonds4

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

N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine (PubChem CID 95847933) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
PubChem CID95847933
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine
SMILESCNc1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1
InChIInChI=1S/C13H17N5O3S/c1-14-10-2-3-12(15-6-10)13-9-18(4-5-21-13)22(19,20)11-7-16-17-8-11/h2-3,6-8,13-14H,4-5,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyPIWROVLQDSZONT-ZDUSSCGKSA-N
XLogP0.61
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The IUPAC name of N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine (CID 95847933) is N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The canonical SMILES for N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine is CNc1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)nc1.
What is the InChIKey of N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
The InChIKey is PIWROVLQDSZONT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-14-10-2-3-12(15-6-10)13-9-18(4-5-21-13)22(19,20)11-7-16-17-8-11/h2-3,6-8,13-14H,4-5,9H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine?
N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine has a molecular weight of 323.38 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2S)-4-(1H-pyrazol-4-ylsulfonyl)morpholin-2-yl]pyridin-3-amine is sourced from PubChem (CID 95847933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).