N-(3-aminopropyl)-N-methylmethanesulfonamide

C5H14N2O2S — CID 23010539

IUPACN-(3-aminopropyl)-N-methylmethanesulfonamide
SMILESCN(CCCN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-7(5-3-4-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyCXRSTZVOJUPENN-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.77
Rot. Bonds4

About N-(3-aminopropyl)-N-methylmethanesulfonamide

N-(3-aminopropyl)-N-methylmethanesulfonamide (PubChem CID 23010539) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylmethanesulfonamide
PubChem CID23010539
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(3-aminopropyl)-N-methylmethanesulfonamide
SMILESCN(CCCN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-7(5-3-4-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyCXRSTZVOJUPENN-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methylmethanesulfonamide (CID 23010539) is N-(3-aminopropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylmethanesulfonamide is CN(CCCN)S(C)(=O)=O.
What is the InChIKey of N-(3-aminopropyl)-N-methylmethanesulfonamide?
The InChIKey is CXRSTZVOJUPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-7(5-3-4-6)10(2,8)9/h3-6H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methylmethanesulfonamide?
N-(3-aminopropyl)-N-methylmethanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 23010539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).