2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide

C15H22N2OS — CID 80586609

IUPAC2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CCCS1
InChIInChI=1S/C15H22N2OS/c1-2-9-16-14-8-4-3-7-13(14)15(18)17-11-12-6-5-10-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyDTLDUWYRUBYWJX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.13
Rot. Bonds6

About 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide

2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80586609) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80586609
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CCCS1
InChIInChI=1S/C15H22N2OS/c1-2-9-16-14-8-4-3-7-13(14)15(18)17-11-12-6-5-10-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyDTLDUWYRUBYWJX-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide (CID 80586609) is 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide is CCCNc1ccccc1C(=O)NCC1CCCS1.
What is the InChIKey of 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is DTLDUWYRUBYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-9-16-14-8-4-3-7-13(14)15(18)17-11-12-6-5-10-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 278.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80586609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).