1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine

C13H20N2O3S — CID 71973544

IUPAC1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(NCc2ccco2)CC1
InChIInChI=1S/C13H20N2O3S/c16-19(17,13-3-4-13)15-7-5-11(6-8-15)14-10-12-2-1-9-18-12/h1-2,9,11,13-14H,3-8,10H2
InChIKeyBVVRDYOPTVOXND-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.33
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine

1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine (PubChem CID 71973544) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine
PubChem CID71973544
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(NCc2ccco2)CC1
InChIInChI=1S/C13H20N2O3S/c16-19(17,13-3-4-13)15-7-5-11(6-8-15)14-10-12-2-1-9-18-12/h1-2,9,11,13-14H,3-8,10H2
InChIKeyBVVRDYOPTVOXND-UHFFFAOYSA-N
XLogP1.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Cyanoethyl)-N-(2-furylmethyl)methanesulfonamide
CID 557241
N-(2-Furanylmethyl)-4-morpholinepropanamine
CID 3312689
((Furan-2-yl)methyl)(propan-2-yl)amine
CID 12572948
4-(Furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 318460
N-(furan-2-ylmethyl)morpholine-4-sulfonamide
CID 2235318
2-Benzenesulfonylamino-N-furan-2-ylmethyl-propionamide
CID 2963960
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53304359
(6R)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53304360
4-[(2-Furylmethyl)amino]-3-hydroxythiolane-1,1-dione
CID 650403
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
N-cyclopentyl-N-(2-furylmethyl)propane-1,3-diamine
CID 2981024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine (CID 71973544) is 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine is O=S(=O)(C1CC1)N1CCC(NCc2ccco2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine?
The InChIKey is BVVRDYOPTVOXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-19(17,13-3-4-13)15-7-5-11(6-8-15)14-10-12-2-1-9-18-12/h1-2,9,11,13-14H,3-8,10H2.
What are the key properties of 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine?
1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 71973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).