N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine

C17H26ClNOS — CID 104510031

IUPACN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1C1CC1
InChIInChI=1S/C17H26ClNOS/c1-16(2,3)19-11-17(10-13-6-7-14(18)21-13)8-9-20-15(17)12-4-5-12/h6-7,12,15,19H,4-5,8-11H2,1-3H3
InChIKeyVKLWNZOUKOTQMQ-UHFFFAOYSA-N
MW327.92 g/mol
LogP4.52
Rot. Bonds5

About N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104510031) has the molecular formula C17H26ClNOS and a molecular weight of 327.92 g/mol. Its IUPAC name is N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104510031
Molecular FormulaC17H26ClNOS
Molecular Weight327.92 g/mol
Exact Mass327.14
IUPAC NameN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1C1CC1
InChIInChI=1S/C17H26ClNOS/c1-16(2,3)19-11-17(10-13-6-7-14(18)21-13)8-9-20-15(17)12-4-5-12/h6-7,12,15,19H,4-5,8-11H2,1-3H3
InChIKeyVKLWNZOUKOTQMQ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63521834
N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107053590
3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 114535508
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
N-[[2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509839
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107309845
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 113420879
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 104510031) is N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1C1CC1.
What is the InChIKey of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VKLWNZOUKOTQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNOS/c1-16(2,3)19-11-17(10-13-6-7-14(18)21-13)8-9-20-15(17)12-4-5-12/h6-7,12,15,19H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 327.92 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104510031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).