N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine

C14H23NO4S — CID 106495988

IUPACN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CS(=O)(=O)CC2CCCO2)o1
InChIInChI=1S/C14H23NO4S/c1-11(2)15-8-12-5-6-14(19-12)10-20(16,17)9-13-4-3-7-18-13/h5-6,11,13,15H,3-4,7-10H2,1-2H3
InChIKeyDVPZIXBVJRFIAL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.87
Rot. Bonds7

About N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106495988) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106495988
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CS(=O)(=O)CC2CCCO2)o1
InChIInChI=1S/C14H23NO4S/c1-11(2)15-8-12-5-6-14(19-12)10-20(16,17)9-13-4-3-7-18-13/h5-6,11,13,15H,3-4,7-10H2,1-2H3
InChIKeyDVPZIXBVJRFIAL-UHFFFAOYSA-N
XLogP1.87
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 106496015
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)propan-1-one
CID 106497062
methyl 3-bromo-4-(oxolan-2-ylmethylsulfonylmethyl)benzoate
CID 106493670
N-ethyl-1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106495943
2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
CID 106493679
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
CID 167911690
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine (CID 106495988) is N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CS(=O)(=O)CC2CCCO2)o1.
What is the InChIKey of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is DVPZIXBVJRFIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)15-8-12-5-6-14(19-12)10-20(16,17)9-13-4-3-7-18-13/h5-6,11,13,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 301.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106495988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).