N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide

C11H26N2O3S — CID 114142112

IUPACN-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)C(C)CNC
InChIInChI=1S/C11H26N2O3S/c1-4-5-8-16-9-6-7-13-17(14,15)11(2)10-12-3/h11-13H,4-10H2,1-3H3
InChIKeyLLVOLPZERRCXDN-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds11

About N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide

N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 114142112) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID114142112
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)C(C)CNC
InChIInChI=1S/C11H26N2O3S/c1-4-5-8-16-9-6-7-13-17(14,15)11(2)10-12-3/h11-13H,4-10H2,1-3H3
InChIKeyLLVOLPZERRCXDN-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
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

1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
CID 113328190
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
1-butoxybutane;N-methylmethanamine
CID 88830911
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
N-methyl-3-propoxypropan-1-amine;molecular hydrogen
CID 156802558

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide (CID 114142112) is N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide is CCCCOCCCNS(=O)(=O)C(C)CNC.
What is the InChIKey of N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is LLVOLPZERRCXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-5-8-16-9-6-7-13-17(14,15)11(2)10-12-3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 114142112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).