(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide

C12H26N2O3S — CID 99796865

IUPAC(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide
SMILESCCCCC[C@@H](C)NS(=O)(=O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-7-8-9-10(2)13-18(16,17)11(3)12(15)14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyPAWYPFONHXJSKD-GHMZBOCLSA-N
MW278.42 g/mol
LogP1.35
Rot. Bonds8

About (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide

(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide (PubChem CID 99796865) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide
PubChem CID99796865
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide
SMILESCCCCC[C@@H](C)NS(=O)(=O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-7-8-9-10(2)13-18(16,17)11(3)12(15)14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyPAWYPFONHXJSKD-GHMZBOCLSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide
CID 97027546
2-(pentan-2-ylsulfamoyl)propanoic acid
CID 61454436
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676
N,N,4-trimethyl-2-(nonan-2-ylamino)pentanamide
CID 43675030
N-(methylsulfamoyl)octan-2-amine
CID 167189143
2-(sulfamoylamino)heptane;2,2,2-trifluoroacetic acid
CID 175947630
2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
CID 60688139
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
N-dodecan-2-ylpropanamide
CID 174988669
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide (CID 99796865) is (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide is CCCCC[C@@H](C)NS(=O)(=O)[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide?
The InChIKey is PAWYPFONHXJSKD-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-7-8-9-10(2)13-18(16,17)11(3)12(15)14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide?
(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 99796865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).