N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine

C11H16ClNOS — CID 79419740

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESClc1csc(CNCC2CCCOC2)c1
InChIInChI=1S/C11H16ClNOS/c12-10-4-11(15-8-10)6-13-5-9-2-1-3-14-7-9/h4,8-9,13H,1-3,5-7H2
InChIKeyJZCVKYPOTIHFHU-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 79419740) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID79419740
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESClc1csc(CNCC2CCCOC2)c1
InChIInChI=1S/C11H16ClNOS/c12-10-4-11(15-8-10)6-13-5-9-2-1-3-14-7-9/h4,8-9,13H,1-3,5-7H2
InChIKeyJZCVKYPOTIHFHU-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 79545727
4-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127324
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 79420343
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
N-[(3-bromo-4-chlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 83235438
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine (CID 79419740) is N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine is Clc1csc(CNCC2CCCOC2)c1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is JZCVKYPOTIHFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-10-4-11(15-8-10)6-13-5-9-2-1-3-14-7-9/h4,8-9,13H,1-3,5-7H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 245.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 79419740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).