N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide

C11H27N3O2S — CID 106074272

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-7-12-8-6-9-17(15,16)13-11(2)10-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyKBCANLGHWOBJLT-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.25
Rot. Bonds10

About N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide (PubChem CID 106074272) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
PubChem CID106074272
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-7-12-8-6-9-17(15,16)13-11(2)10-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyKBCANLGHWOBJLT-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.25
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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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
CID 102915713
3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide (CID 106074272) is N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide?
The InChIKey is KBCANLGHWOBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-7-12-8-6-9-17(15,16)13-11(2)10-14(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 106074272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).