[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine

C10H18N4O3S — CID 42252973

IUPAC[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C10H18N4O3S/c1-7-10(8(2)13-12-7)18(15,16)14-3-4-17-9(5-11)6-14/h9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyHZIFYVCZIKEJCM-SECBINFHSA-N
MW274.35 g/mol
LogP-0.63
Rot. Bonds3

About [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine

[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine (PubChem CID 42252973) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
PubChem CID42252973
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C10H18N4O3S/c1-7-10(8(2)13-12-7)18(15,16)14-3-4-17-9(5-11)6-14/h9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyHZIFYVCZIKEJCM-SECBINFHSA-N
XLogP-0.63
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine (CID 42252973) is [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](CN)C1.
What is the InChIKey of [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine?
The InChIKey is HZIFYVCZIKEJCM-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-10(8(2)13-12-7)18(15,16)14-3-4-17-9(5-11)6-14/h9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine?
[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine has a molecular weight of 274.35 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 42252973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).