N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

C11H16ClNO2S — CID 107386647

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CNCc2cc(Cl)cs2)O1
InChIInChI=1S/C11H16ClNO2S/c1-11(2)14-6-9(15-11)4-13-5-10-3-8(12)7-16-10/h3,7,9,13H,4-6H2,1-2H3
InChIKeyWTWAVMMOHWYDAH-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.64
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 107386647) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID107386647
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CNCc2cc(Cl)cs2)O1
InChIInChI=1S/C11H16ClNO2S/c1-11(2)14-6-9(15-11)4-13-5-10-3-8(12)7-16-10/h3,7,9,13H,4-6H2,1-2H3
InChIKeyWTWAVMMOHWYDAH-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 107386192
4-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127324
2-[5-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 107386051
N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79419740
N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79426608
N-[(4-butoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386145
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine
CID 107386605
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 107386623
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
CID 106196952
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386415
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 107386627

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (CID 107386647) is N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is CC1(C)OCC(CNCc2cc(Cl)cs2)O1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is WTWAVMMOHWYDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-11(2)14-6-9(15-11)4-13-5-10-3-8(12)7-16-10/h3,7,9,13H,4-6H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 261.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 107386647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).