N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide

C13H24N2O3S — CID 55098017

IUPACN-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccco1
InChIInChI=1S/C13H24N2O3S/c1-4-12(13-8-6-11-18-13)14-9-7-10-15(5-2)19(3,16)17/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNFHKWHSYISIMRD-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.99
Rot. Bonds9

About N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide (PubChem CID 55098017) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
PubChem CID55098017
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccco1
InChIInChI=1S/C13H24N2O3S/c1-4-12(13-8-6-11-18-13)14-9-7-10-15(5-2)19(3,16)17/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNFHKWHSYISIMRD-UHFFFAOYSA-N
XLogP1.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
CID 61013782
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354606
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(furan-2-ylmethyl)guanidine
CID 110938928

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide (CID 55098017) is N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide is CCC(NCCCN(CC)S(C)(=O)=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide?
The InChIKey is NFHKWHSYISIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-12(13-8-6-11-18-13)14-9-7-10-15(5-2)19(3,16)17/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide is sourced from PubChem (CID 55098017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).