2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide

C8H19N3O3S — CID 60910488

IUPAC2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C8H19N3O3S/c1-10(2)8(12)7-11(3)15(13,14)6-4-5-9/h4-7,9H2,1-3H3
InChIKeyNUFOHXLSJMYHEO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.32
Rot. Bonds6

About 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide

2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide (PubChem CID 60910488) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
PubChem CID60910488
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C8H19N3O3S/c1-10(2)8(12)7-11(3)15(13,14)6-4-5-9/h4-7,9H2,1-3H3
InChIKeyNUFOHXLSJMYHEO-UHFFFAOYSA-N
XLogP-1.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507
3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 61442057
3-[3-aminopropylsulfonyl(methyl)amino]-N-methylpropanamide
CID 106915137
2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide
CID 62924113
4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 62333188
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 75419186
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
2-[2-hydroxyethylsulfonyl(methyl)amino]acetamide
CID 79588713
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide (CID 60910488) is 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)CCCN.
What is the InChIKey of 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The InChIKey is NUFOHXLSJMYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-10(2)8(12)7-11(3)15(13,14)6-4-5-9/h4-7,9H2,1-3H3.
What are the key properties of 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide has a molecular weight of 237.32 g/mol, XLogP of -1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60910488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).