cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

C16H24N2O2S — CID 43791482

IUPACcyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCSCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)o1
InChIInChI=1S/C16H24N2O2S/c1-21-11-15-5-4-14(20-15)10-17-13-6-8-18(9-7-13)16(19)12-2-3-12/h4-5,12-13,17H,2-3,6-11H2,1H3
InChIKeyMQSAZHHLZQNWKU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.63
Rot. Bonds6

About cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (PubChem CID 43791482) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
PubChem CID43791482
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Namecyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCSCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)o1
InChIInChI=1S/C16H24N2O2S/c1-21-11-15-5-4-14(20-15)10-17-13-6-8-18(9-7-13)16(19)12-2-3-12/h4-5,12-13,17H,2-3,6-11H2,1H3
InChIKeyMQSAZHHLZQNWKU-UHFFFAOYSA-N
XLogP2.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (CID 43791482) is cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is CSCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)o1.
What is the InChIKey of cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The InChIKey is MQSAZHHLZQNWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21-11-15-5-4-14(20-15)10-17-13-6-8-18(9-7-13)16(19)12-2-3-12/h4-5,12-13,17H,2-3,6-11H2,1H3.
What are the key properties of cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43791482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).