N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide

C14H32N2O2S — CID 102915713

IUPACN-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2O2S/c1-6-8-15-9-7-10-19(17,18)16-11-14(12(2)3)13(4)5/h12-16H,6-11H2,1-5H3
InChIKeyDZXJTXSAADSCFE-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.22
Rot. Bonds11

About N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide

N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide (PubChem CID 102915713) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
PubChem CID102915713
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2O2S/c1-6-8-15-9-7-10-19(17,18)16-11-14(12(2)3)13(4)5/h12-16H,6-11H2,1-5H3
InChIKeyDZXJTXSAADSCFE-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
N-(2,2-dimethylbutyl)-4-(propylamino)butane-1-sulfonamide
CID 103466329
N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide
CID 106079280
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide (CID 102915713) is N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide?
The InChIKey is DZXJTXSAADSCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-6-8-15-9-7-10-19(17,18)16-11-14(12(2)3)13(4)5/h12-16H,6-11H2,1-5H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 102915713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).