4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide

C14H20N2OS — CID 113264057

IUPAC4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c15-9-11-1-3-13(4-2-11)14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyBLPCEMNIHLIWQU-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.02
Rot. Bonds4

About 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide

4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide (PubChem CID 113264057) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
PubChem CID113264057
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c15-9-11-1-3-13(4-2-11)14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyBLPCEMNIHLIWQU-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-[3-oxo-3-(thian-4-ylmethylamino)propyl]benzoic acid
CID 119182872
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
CID 115625132
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide (CID 113264057) is 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide is NCc1ccc(C(=O)NCC2CCSCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide?
The InChIKey is BLPCEMNIHLIWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-9-11-1-3-13(4-2-11)14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide?
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide is sourced from PubChem (CID 113264057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).