N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide

C10H21N3O3S — CID 47409824

IUPACN-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
SMILESCN(CCCNS(C)(=O)=O)CC(=O)NC1CC1
InChIInChI=1S/C10H21N3O3S/c1-13(7-3-6-11-17(2,15)16)8-10(14)12-9-4-5-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyYPEZOSMPSPMMIL-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.86
Rot. Bonds8

About N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide

N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide (PubChem CID 47409824) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
PubChem CID47409824
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
SMILESCN(CCCNS(C)(=O)=O)CC(=O)NC1CC1
InChIInChI=1S/C10H21N3O3S/c1-13(7-3-6-11-17(2,15)16)8-10(14)12-9-4-5-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyYPEZOSMPSPMMIL-UHFFFAOYSA-N
XLogP-0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide (CID 47409824) is N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide is CN(CCCNS(C)(=O)=O)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The InChIKey is YPEZOSMPSPMMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-13(7-3-6-11-17(2,15)16)8-10(14)12-9-4-5-9/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide is sourced from PubChem (CID 47409824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).