N-(aminomethyl)-N-methylmethanesulfonamide

C3H10N2O2S — CID 154939817

IUPACN-(aminomethyl)-N-methylmethanesulfonamide
SMILESCN(CN)S(C)(=O)=O
InChIInChI=1S/C3H10N2O2S/c1-5(3-4)8(2,6)7/h3-4H2,1-2H3
InChIKeyPZNNVRDIBJMSNB-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.21
Rot. Bonds2

About N-(aminomethyl)-N-methylmethanesulfonamide

N-(aminomethyl)-N-methylmethanesulfonamide (PubChem CID 154939817) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is N-(aminomethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-methylmethanesulfonamide
PubChem CID154939817
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC NameN-(aminomethyl)-N-methylmethanesulfonamide
SMILESCN(CN)S(C)(=O)=O
InChIInChI=1S/C3H10N2O2S/c1-5(3-4)8(2,6)7/h3-4H2,1-2H3
InChIKeyPZNNVRDIBJMSNB-UHFFFAOYSA-N
XLogP-1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodoethyl)-N-methylmethanesulfonamide
CID 21344429
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
CID 143377491
bis[2-[methyl(methylsulfonyl)amino]ethyl] (E)-but-2-enedioate
CID 90410925
N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide
CID 174339591
N-hydroxy-2-[methyl(methylsulfonyl)amino]acetamide
CID 130678622
N-chloro-N-methylmethanesulfonamide
CID 22136679
methane;N-methyl-N-methylsulfonylmethanesulfonamide
CID 157258275
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(aminomethyl)-N-methylmethanesulfonamide (CID 154939817) is N-(aminomethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(aminomethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(aminomethyl)-N-methylmethanesulfonamide is CN(CN)S(C)(=O)=O.
What is the InChIKey of N-(aminomethyl)-N-methylmethanesulfonamide?
The InChIKey is PZNNVRDIBJMSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-5(3-4)8(2,6)7/h3-4H2,1-2H3.
What are the key properties of N-(aminomethyl)-N-methylmethanesulfonamide?
N-(aminomethyl)-N-methylmethanesulfonamide has a molecular weight of 138.19 g/mol, XLogP of -1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 154939817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).