N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

C11H17ClN2OS — CID 95598780

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H17ClN2OS/c1-14-4-5-15-9(8-14)6-13-7-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3/t9-/m0/s1
InChIKeyBSZGZMHHWWXNGG-VIFPVBQESA-N
MW260.79 g/mol
LogP1.82
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95598780) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
PubChem CID95598780
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H17ClN2OS/c1-14-4-5-15-9(8-14)6-13-7-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3/t9-/m0/s1
InChIKeyBSZGZMHHWWXNGG-VIFPVBQESA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79171394
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95319473
1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
CID 95339003

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (CID 95598780) is N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@@H](CNCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is BSZGZMHHWWXNGG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-14-4-5-15-9(8-14)6-13-7-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 260.79 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95598780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).