acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide

C10H17N3O4S — CID 67100126

IUPACacetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide
SMILESCC(=O)O.CN(c1cccnc1CN)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S.C2H4O2/c1-11(14(2,12)13)8-4-3-5-10-7(8)6-9;1-2(3)4/h3-5H,6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyBOYVZSNEBDYHOO-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.03
Rot. Bonds3

About acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide

acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 67100126) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Nameacetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide
PubChem CID67100126
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameacetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide
SMILESCC(=O)O.CN(c1cccnc1CN)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S.C2H4O2/c1-11(14(2,12)13)8-4-3-5-10-7(8)6-9;1-2(3)4/h3-5H,6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyBOYVZSNEBDYHOO-UHFFFAOYSA-N
XLogP0.03
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide (CID 67100126) is acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide is CC(=O)O.CN(c1cccnc1CN)S(C)(=O)=O.
What is the InChIKey of acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is BOYVZSNEBDYHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S.C2H4O2/c1-11(14(2,12)13)8-4-3-5-10-7(8)6-9;1-2(3)4/h3-5H,6,9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide?
acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(aminomethyl)-3-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67100126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).