2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine

C13H19NOS — CID 103864495

IUPAC2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCc1ccsc1CNC1CCOC1C1CC1
InChIInChI=1S/C13H19NOS/c1-9-5-7-16-12(9)8-14-11-4-6-15-13(11)10-2-3-10/h5,7,10-11,13-14H,2-4,6,8H2,1H3
InChIKeySLIPHLARZAORMY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine

2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine (PubChem CID 103864495) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
PubChem CID103864495
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCc1ccsc1CNC1CCOC1C1CC1
InChIInChI=1S/C13H19NOS/c1-9-5-7-16-12(9)8-14-11-4-6-15-13(11)10-2-3-10/h5,7,10-11,13-14H,2-4,6,8H2,1H3
InChIKeySLIPHLARZAORMY-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923130
(1R,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923126
(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864566
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine (CID 103864495) is 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine is Cc1ccsc1CNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The InChIKey is SLIPHLARZAORMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-5-7-16-12(9)8-14-11-4-6-15-13(11)10-2-3-10/h5,7,10-11,13-14H,2-4,6,8H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 103864495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).