N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

C15H26N2O3S — CID 107402616

IUPACN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C15H26N2O3S/c1-4-17(11-13-6-5-7-13)21(18,19)15-9-8-14(20-15)10-16-12(2)3/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyZVQIDFNGKSLEDV-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.59
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (PubChem CID 107402616) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
PubChem CID107402616
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C15H26N2O3S/c1-4-17(11-13-6-5-7-13)21(18,19)15-9-8-14(20-15)10-16-12(2)3/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyZVQIDFNGKSLEDV-UHFFFAOYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 107402936
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 107402807
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 103914756
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (CID 107402616) is N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccc(CNC(C)C)o1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The InChIKey is ZVQIDFNGKSLEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-17(11-13-6-5-7-13)21(18,19)15-9-8-14(20-15)10-16-12(2)3/h8-9,12-13,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 107402616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).