5-bromo-N-(thian-2-ylmethyl)pentanamide

C11H20BrNOS — CID 107910332

IUPAC5-bromo-N-(thian-2-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCC1CCCCS1
InChIInChI=1S/C11H20BrNOS/c12-7-3-1-6-11(14)13-9-10-5-2-4-8-15-10/h10H,1-9H2,(H,13,14)
InChIKeyRIFVADKTDKWEOB-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.95
Rot. Bonds6

About 5-bromo-N-(thian-2-ylmethyl)pentanamide

5-bromo-N-(thian-2-ylmethyl)pentanamide (PubChem CID 107910332) has the molecular formula C11H20BrNOS and a molecular weight of 294.26 g/mol. Its IUPAC name is 5-bromo-N-(thian-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(thian-2-ylmethyl)pentanamide
PubChem CID107910332
Molecular FormulaC11H20BrNOS
Molecular Weight294.26 g/mol
Exact Mass293.04
IUPAC Name5-bromo-N-(thian-2-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCC1CCCCS1
InChIInChI=1S/C11H20BrNOS/c12-7-3-1-6-11(14)13-9-10-5-2-4-8-15-10/h10H,1-9H2,(H,13,14)
InChIKeyRIFVADKTDKWEOB-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(thian-2-ylmethyl)hexanamide
CID 80599983
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
CID 80600778
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
2,2,2-trifluoro-N-(thian-2-ylmethyl)acetamide
CID 80612943
5-(thian-2-ylmethylamino)pentanoic acid
CID 103257954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thian-2-ylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-(thian-2-ylmethyl)pentanamide (CID 107910332) is 5-bromo-N-(thian-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(thian-2-ylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-(thian-2-ylmethyl)pentanamide is O=C(CCCCBr)NCC1CCCCS1.
What is the InChIKey of 5-bromo-N-(thian-2-ylmethyl)pentanamide?
The InChIKey is RIFVADKTDKWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNOS/c12-7-3-1-6-11(14)13-9-10-5-2-4-8-15-10/h10H,1-9H2,(H,13,14).
What are the key properties of 5-bromo-N-(thian-2-ylmethyl)pentanamide?
5-bromo-N-(thian-2-ylmethyl)pentanamide has a molecular weight of 294.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thian-2-ylmethyl)pentanamide is sourced from PubChem (CID 107910332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).