4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide

C14H20N2OS — CID 80736770

IUPAC4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(CN)cc2)CCCS1
InChIInChI=1S/C14H20N2OS/c1-14(7-2-8-18-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyQQOLLXYNJCWRBB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.16
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide

4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 80736770) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID80736770
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(CN)cc2)CCCS1
InChIInChI=1S/C14H20N2OS/c1-14(7-2-8-18-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyQQOLLXYNJCWRBB-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
3-[[(2R)-2-methylthiolan-2-yl]methylcarbamoyl]benzoic acid
CID 124592899
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
6-bromo-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528541
4-fluoro-3-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80528467
1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
CID 106073760
2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726810
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
(E)-3-[3-[(2-methylthiolan-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 80743998

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 80736770) is 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(CN)cc2)CCCS1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is QQOLLXYNJCWRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(7-2-8-18-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide?
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 80736770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).