N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine

C11H19NO3S — CID 106512891

IUPACN-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine
SMILESCC(C)CS(=O)(=O)CCNCc1ccco1
InChIInChI=1S/C11H19NO3S/c1-10(2)9-16(13,14)7-5-12-8-11-4-3-6-15-11/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeySJXPPNVFAKRZQT-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.44
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine

N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine (PubChem CID 106512891) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine
PubChem CID106512891
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine
SMILESCC(C)CS(=O)(=O)CCNCc1ccco1
InChIInChI=1S/C11H19NO3S/c1-10(2)9-16(13,14)7-5-12-8-11-4-3-6-15-11/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeySJXPPNVFAKRZQT-UHFFFAOYSA-N
XLogP1.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.44
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

2-butan-2-ylsulfonyl-N-(furan-2-ylmethyl)ethanamine
CID 106512680
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine (CID 106512891) is N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine is CC(C)CS(=O)(=O)CCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine?
The InChIKey is SJXPPNVFAKRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-10(2)9-16(13,14)7-5-12-8-11-4-3-6-15-11/h3-4,6,10,12H,5,7-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine?
N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine has a molecular weight of 245.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine is sourced from PubChem (CID 106512891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).