1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine

C10H15NOS — CID 107784256

IUPAC1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SCC(N)C1CC1
InChIInChI=1S/C10H15NOS/c1-7-10(4-5-12-7)13-6-9(11)8-2-3-8/h4-5,8-9H,2-3,6,11H2,1H3
InChIKeyNMWGNVZWTRXDLI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.42
Rot. Bonds4

About 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine

1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107784256) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107784256
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SCC(N)C1CC1
InChIInChI=1S/C10H15NOS/c1-7-10(4-5-12-7)13-6-9(11)8-2-3-8/h4-5,8-9H,2-3,6,11H2,1H3
InChIKeyNMWGNVZWTRXDLI-UHFFFAOYSA-N
XLogP2.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781712
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780463
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784165
1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784313
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 107782021
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107784256) is 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1occc1SCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is NMWGNVZWTRXDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-10(4-5-12-7)13-6-9(11)8-2-3-8/h4-5,8-9H,2-3,6,11H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 197.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107784256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).