1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine

C16H26N2O3S — CID 97102498

IUPAC1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCCc1ccc([C@H](C)NC2CCN(S(=O)(=O)C3CC3)CC2)o1
InChIInChI=1S/C16H26N2O3S/c1-3-14-4-7-16(21-14)12(2)17-13-8-10-18(11-9-13)22(19,20)15-5-6-15/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t12-/m0/s1
InChIKeySTXNNAIWGMQTNF-LBPRGKRZSA-N
MW326.46 g/mol
LogP2.45
Rot. Bonds6

About 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine

1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine (PubChem CID 97102498) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine
PubChem CID97102498
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCCc1ccc([C@H](C)NC2CCN(S(=O)(=O)C3CC3)CC2)o1
InChIInChI=1S/C16H26N2O3S/c1-3-14-4-7-16(21-14)12(2)17-13-8-10-18(11-9-13)22(19,20)15-5-6-15/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t12-/m0/s1
InChIKeySTXNNAIWGMQTNF-LBPRGKRZSA-N
XLogP2.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine (CID 97102498) is 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine is CCc1ccc([C@H](C)NC2CCN(S(=O)(=O)C3CC3)CC2)o1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine?
The InChIKey is STXNNAIWGMQTNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-14-4-7-16(21-14)12(2)17-13-8-10-18(11-9-13)22(19,20)15-5-6-15/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine?
1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine has a molecular weight of 326.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 97102498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).