N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide

C12H22N2O3S — CID 54972457

IUPACN-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H22N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-6-12-5-3-9-17-12/h3,5,9,11,13-14H,4,6-8,10H2,1-2H3
InChIKeyWQOAILZOYFPACP-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.13
Rot. Bonds9

About N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide

N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54972457) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54972457
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H22N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-6-12-5-3-9-17-12/h3,5,9,11,13-14H,4,6-8,10H2,1-2H3
InChIKeyWQOAILZOYFPACP-UHFFFAOYSA-N
XLogP1.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.13
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-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106060179
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54972457) is N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is WQOAILZOYFPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-6-12-5-3-9-17-12/h3,5,9,11,13-14H,4,6-8,10H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide?
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54972457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).