1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea

C9H14N4O3S — CID 67608448

IUPAC1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea
SMILESCN(C(N)=O)c1cc(CN)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14N4O3S/c1-13(9(11)14)7-3-6(5-10)4-8(12-7)17(2,15)16/h3-4H,5,10H2,1-2H3,(H2,11,14)
InChIKeyWRSMHZHWCZKYRL-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.54
Rot. Bonds3

About 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea

1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea (PubChem CID 67608448) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea
PubChem CID67608448
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea
SMILESCN(C(N)=O)c1cc(CN)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14N4O3S/c1-13(9(11)14)7-3-6(5-10)4-8(12-7)17(2,15)16/h3-4H,5,10H2,1-2H3,(H2,11,14)
InChIKeyWRSMHZHWCZKYRL-UHFFFAOYSA-N
XLogP-0.54
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea?
The IUPAC name of 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea (CID 67608448) is 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea.
What is the SMILES notation for 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea?
The canonical SMILES for 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea is CN(C(N)=O)c1cc(CN)cc(S(C)(=O)=O)n1.
What is the InChIKey of 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea?
The InChIKey is WRSMHZHWCZKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-13(9(11)14)7-3-6(5-10)4-8(12-7)17(2,15)16/h3-4H,5,10H2,1-2H3,(H2,11,14).
What are the key properties of 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea?
1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea has a molecular weight of 258.30 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-methylsulfonyl-2-pyridinyl]-1-methylurea is sourced from PubChem (CID 67608448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).